#METABOLOMICS WORKBENCH Amar_ku_06_20240909_181031 DATATRACK_ID:5184 STUDY_ID:ST003520 ANALYSIS_ID:AN005778 PROJECT_ID:PR002165
VERSION 1
CREATED_ON October 17, 2024, 6:56 pm
#PROJECT
PR:PROJECT_TITLE Identification of Plasma Metabolomic Biomarkers of Juvenile Idiopathic Arthritis
PR:PROJECT_TYPE Clinical
PR:PROJECT_SUMMARY The identification of reliable disease and therapeutic biomarkers remains a
PR:PROJECT_SUMMARY significant challenge for early diagnosis and the initiation of effective
PR:PROJECT_SUMMARY disease-modifying therapies in juvenile idiopathic arthritis (JIA). In this
PR:PROJECT_SUMMARY study, comprehensive plasma metabolomic profiling was conducted to elucidate
PR:PROJECT_SUMMARY metabolic biomarkers associated with JIA pathophysiology.
PR:INSTITUTE University of Kansas
PR:DEPARTMENT Center for Computational Biology
PR:LABORATORY Funk
PR:LAST_NAME Kumar
PR:FIRST_NAME Amar
PR:ADDRESS Multidisciplinary Research Bldg. 2030 Becker Drive, Lawrence, KS 66047
PR:EMAIL amarkumar@ku.edu
PR:PHONE 18723016225
#STUDY
ST:STUDY_TITLE Identification of Plasma Metabolomic Biomarkers of Juvenile Idiopathic Arthritis
ST:STUDY_TYPE Clinical
ST:STUDY_SUMMARY This study utilizes plasma metabolomic profiling to identify biomarkers
ST:STUDY_SUMMARY associated with juvenile idiopathic arthritis (JIA) by analyzing samples from
ST:STUDY_SUMMARY treatment-naïve JIA patients and non-JIA controls. Significant metabolic
ST:STUDY_SUMMARY alterations were detected, with sphingosine metabolites and fatty acid
ST:STUDY_SUMMARY ethanolamides showing notable increases in JIA patients, while specific
ST:STUDY_SUMMARY compounds such as sarcosine were decreased. The research highlights 11 highly
ST:STUDY_SUMMARY discriminatory metabolites, including sphinganine-1-phosphate, demonstrating
ST:STUDY_SUMMARY potential for improved JIA diagnosis and treatment through targeted metabolic
ST:STUDY_SUMMARY profiling.
ST:INSTITUTE University of Kansas
ST:DEPARTMENT Center for Computational Biology
ST:LABORATORY Funk
ST:LAST_NAME Kumar
ST:FIRST_NAME Amar
ST:ADDRESS Multidisciplinary Research Bldg. 2030 Becker Drive Lawrence, KS 66047
ST:EMAIL amarkumar@ku.edu
ST:PHONE 18723016225
ST:NUM_GROUPS 2
ST:TOTAL_SUBJECTS 210
ST:NUM_MALES 82
ST:NUM_FEMALES 128
ST:STUDY_COMMENTS Although the raw dataset initially included 210 subjects, only 207 were included
ST:STUDY_COMMENTS in the final analysis due to consent-related exclusions. These three subjects
ST:STUDY_COMMENTS were removed to ensure compliance with ethical standards.
#SUBJECT
SU:SUBJECT_TYPE Human
SU:SUBJECT_SPECIES Homo sapiens
SU:TAXONOMY_ID 9606
SU:AGE_OR_AGE_RANGE 1.50–20.33 years
SU:GENDER Male and female
#SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS FS10430881 UKAN-00607 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430905 UKAN-00608 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430929 UKAN-00609 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430953 UKAN-00610 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430882 UKAN-00611 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430906 UKAN-00612 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430930 UKAN-00613 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430954 UKAN-00614 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430883 UKAN-00615 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430907 UKAN-00616 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430931 UKAN-00617 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430955 UKAN-00618 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430884 UKAN-00619 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430908 UKAN-00620 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430932 UKAN-00621 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430956 UKAN-00622 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430885 UKAN-00623 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430909 UKAN-00624 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430933 UKAN-00625 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430957 UKAN-00626 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430886 UKAN-00627 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS10430910 UKAN-00628 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS10430934 UKAN-00629 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS10430958 UKAN-00630 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS10430887 UKAN-00631 Sample source:EDTA plasma | Group:Crohn's Disease
SUBJECT_SAMPLE_FACTORS FS10430919 UKAN-00632 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS10430943 UKAN-00633 Sample source:EDTA plasma | Group:Crohn's Disease
SUBJECT_SAMPLE_FACTORS FS10430967 UKAN-00634 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS10430888 UKAN-00635 Sample source:EDTA plasma | Group:Crohn's Disease
SUBJECT_SAMPLE_FACTORS FS10430920 UKAN-00636 Sample source:EDTA plasma | Group:Crohn's Disease
SUBJECT_SAMPLE_FACTORS FS10430952 UKAN-00637 Sample source:EDTA plasma | Group:Crohn's Disease
SUBJECT_SAMPLE_FACTORS FS10430960 UKAN-00638 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS02486480 UKAN-00639 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS10430872 UKAN-00640 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS10428508 UKAN-00641 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS10431056 UKAN-00642 Sample source:EDTA plasma | Group:Crohn's Disease
SUBJECT_SAMPLE_FACTORS FS02486975 UKAN-00643 Sample source:EDTA plasma | Group:Crohn's Disease
SUBJECT_SAMPLE_FACTORS FS10430992 UKAN-00644 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS02489928 UKAN-00645 Sample source:EDTA plasma | Group:Crohn's Disease
SUBJECT_SAMPLE_FACTORS FS10428563 UKAN-00646 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS10430889 UKAN-00647 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430913 UKAN-00648 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430937 UKAN-00649 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430961 UKAN-00650 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430890 UKAN-00651 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430914 UKAN-00652 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430938 UKAN-00653 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430962 UKAN-00654 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430891 UKAN-00655 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430915 UKAN-00656 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430939 UKAN-00657 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430963 UKAN-00658 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430892 UKAN-00659 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430916 UKAN-00660 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430940 UKAN-00661 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430964 UKAN-00662 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430893 UKAN-00663 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430917 UKAN-00664 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430941 UKAN-00665 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430965 UKAN-00666 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430894 UKAN-00667 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS10430918 UKAN-00668 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS10430942 UKAN-00669 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS10430966 UKAN-00670 Sample source:EDTA plasma | Group:Crohn's Disease
SUBJECT_SAMPLE_FACTORS FS10430895 UKAN-00671 Sample source:EDTA plasma | Group:Crohn's Disease
SUBJECT_SAMPLE_FACTORS FS10430903 UKAN-00672 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS10430935 UKAN-00673 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS10430959 UKAN-00674 Sample source:EDTA plasma | Group:Crohn's Disease
SUBJECT_SAMPLE_FACTORS FS10430896 UKAN-00675 Sample source:EDTA plasma | Group:Crohn's Disease
SUBJECT_SAMPLE_FACTORS FS10430904 UKAN-00676 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS10430928 UKAN-00677 Sample source:EDTA plasma | Group:Crohn's Disease
SUBJECT_SAMPLE_FACTORS FS10430968 UKAN-00678 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS02486495 UKAN-00679 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS10431040 UKAN-00680 Sample source:EDTA plasma | Group:Crohn's Disease
SUBJECT_SAMPLE_FACTORS FS10430800 UKAN-00681 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS02486431 UKAN-00682 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS10430848 UKAN-00683 Sample source:EDTA plasma | Group:Crohn's Disease
SUBJECT_SAMPLE_FACTORS FS10428524 UKAN-00684 Sample source:EDTA plasma | Group:Crohn's Disease
SUBJECT_SAMPLE_FACTORS FS02489880 UKAN-00685 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS10428492 UKAN-00686 Sample source:EDTA plasma | Group:Crohn's Disease
SUBJECT_SAMPLE_FACTORS FS10430897 UKAN-00687 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430921 UKAN-00688 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430945 UKAN-00689 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430969 UKAN-00690 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430898 UKAN-00691 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430922 UKAN-00692 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430946 UKAN-00693 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430970 UKAN-00694 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430899 UKAN-00695 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430923 UKAN-00696 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430947 UKAN-00697 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430971 UKAN-00698 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430900 UKAN-00699 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430924 UKAN-00700 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430948 UKAN-00701 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430972 UKAN-00702 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430901 UKAN-00703 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430925 UKAN-00704 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430949 UKAN-00705 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430973 UKAN-00706 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS10430902 UKAN-00707 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS10430926 UKAN-00708 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS10430950 UKAN-00709 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS10430974 UKAN-00710 Sample source:EDTA plasma | Group:Crohn's Disease
SUBJECT_SAMPLE_FACTORS FS10430911 UKAN-00711 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS10430927 UKAN-00712 Sample source:EDTA plasma | Group:Crohn's Disease
SUBJECT_SAMPLE_FACTORS FS10430951 UKAN-00713 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS10430975 UKAN-00714 Sample source:EDTA plasma | Group:Crohn's Disease
SUBJECT_SAMPLE_FACTORS FS10430912 UKAN-00715 Sample source:EDTA plasma | Group:Crohn's Disease
SUBJECT_SAMPLE_FACTORS FS10430936 UKAN-00716 Sample source:EDTA plasma | Group:Crohn's Disease
SUBJECT_SAMPLE_FACTORS FS10430944 UKAN-00717 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS10430976 UKAN-00718 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS02049880 UKAN-00719 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS10430832 UKAN-00720 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS10430808 UKAN-00721 Sample source:EDTA plasma | Group:Crohn's Disease
SUBJECT_SAMPLE_FACTORS FS02486927 UKAN-00722 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS02486942 UKAN-00723 Sample source:EDTA plasma | Group:Crohn's Disease
SUBJECT_SAMPLE_FACTORS FS10428440 UKAN-00724 Sample source:EDTA plasma | Group:Crohn's Disease
SUBJECT_SAMPLE_FACTORS FS10428500 UKAN-00725 Sample source:EDTA plasma | Group:Crohn's Disease
SUBJECT_SAMPLE_FACTORS FS02486432 UKAN-00726 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS20139889 UKAN-00775 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139913 UKAN-00776 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139937 UKAN-00777 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139961 UKAN-00778 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139890 UKAN-00779 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139914 UKAN-00780 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139938 UKAN-00781 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139970 UKAN-00782 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139907 UKAN-00783 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139931 UKAN-00784 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139971 UKAN-00785 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139908 UKAN-00786 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139932 UKAN-00787 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139964 UKAN-00788 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139893 UKAN-00789 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139917 UKAN-00790 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139941 UKAN-00791 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139965 UKAN-00792 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139894 UKAN-00793 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS20139918 UKAN-00794 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS20139942 UKAN-00795 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS20139966 UKAN-00796 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS20139895 UKAN-00797 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS20139919 UKAN-00798 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS20139943 UKAN-00799 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS20139967 UKAN-00800 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS20139896 UKAN-00801 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS20139920 UKAN-00802 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS20139944 UKAN-00803 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS20139968 UKAN-00804 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS20139897 UKAN-00805 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139921 UKAN-00806 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139945 UKAN-00807 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139969 UKAN-00808 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139898 UKAN-00809 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139922 UKAN-00810 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139946 UKAN-00811 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139978 UKAN-00812 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139915 UKAN-00813 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139939 UKAN-00814 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139979 UKAN-00815 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139916 UKAN-00816 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139940 UKAN-00817 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139972 UKAN-00818 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139901 UKAN-00819 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139925 UKAN-00820 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139949 UKAN-00821 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139973 UKAN-00822 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS20139902 UKAN-00823 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS20139926 UKAN-00824 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS20139950 UKAN-00825 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS20139974 UKAN-00826 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS20139903 UKAN-00827 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS20139927 UKAN-00828 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS20139951 UKAN-00829 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS20139975 UKAN-00830 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS20139904 UKAN-00831 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS20139928 UKAN-00832 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS20139952 UKAN-00833 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS20139976 UKAN-00834 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS20139905 UKAN-00835 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139929 UKAN-00836 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139953 UKAN-00837 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139977 UKAN-00838 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139906 UKAN-00839 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139930 UKAN-00840 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139954 UKAN-00841 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139899 UKAN-00842 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139923 UKAN-00843 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139955 UKAN-00844 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139892 UKAN-00845 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139924 UKAN-00846 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139948 UKAN-00847 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139980 UKAN-00848 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139909 UKAN-00849 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139933 UKAN-00850 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139957 UKAN-00851 Sample source:EDTA plasma | Group:JIA
SUBJECT_SAMPLE_FACTORS FS20139981 UKAN-00852 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS20139910 UKAN-00853 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS20139934 UKAN-00854 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS20139958 UKAN-00855 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS20139982 UKAN-00856 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS20139911 UKAN-00857 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS20139935 UKAN-00858 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS20139959 UKAN-00859 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS20139983 UKAN-00860 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS20139912 UKAN-00861 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS20139936 UKAN-00862 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS20139960 UKAN-00863 Sample source:EDTA plasma | Group:Healthy_Control
SUBJECT_SAMPLE_FACTORS FS20139984 UKAN-00864 Sample source:EDTA plasma | Group:Healthy_Control
#COLLECTION
CO:COLLECTION_SUMMARY EDTA (Ethylenediaminetetraacetic acid) plasma specimens were systematically
CO:COLLECTION_SUMMARY harvested from distinct patient cohorts under uniform preservative protocols and
CO:COLLECTION_SUMMARY collection methodologies, although executed across disparate facilities by
CO:COLLECTION_SUMMARY varying technical staff. The bio-samples involved two primary groups: patients
CO:COLLECTION_SUMMARY diagnosed with Juvenile Idiopathic Arthritis (JIA) prior to the initiation of
CO:COLLECTION_SUMMARY disease-modifying antirheumatic drugs (DMARDs), and a reference non-JIA
CO:COLLECTION_SUMMARY pediatric population including children with active Crohn’s disease and
CO:COLLECTION_SUMMARY healthy controls without autoimmune or discernible gastrointestinal or
CO:COLLECTION_SUMMARY rheumatologic pathology. For JIA, plasma samples were procured in two phases:
CO:COLLECTION_SUMMARY the discovery cohort consisting of 60 subjects from Children’s Mercy Kansas
CO:COLLECTION_SUMMARY City (CM-KC), and the replication cohort comprising 49 subjects enrolled through
CO:COLLECTION_SUMMARY PROMOTE studies at both CM-KC and Cincinnati Children’s Hospital Medical
CO:COLLECTION_SUMMARY Center (CCHMC), Ohio. The non-JIA samples (n = 98) were sourced from a
CO:COLLECTION_SUMMARY biorepository at CM-KC, collected in a fasted state during morning hours
CO:COLLECTION_SUMMARY (7:30–11:30 A.M.), and were all from subjects who were age-matched to the JIA
CO:COLLECTION_SUMMARY group and showed no organic causes for gastrointestinal symptoms, including no
CO:COLLECTION_SUMMARY significant findings on histopathology from tissues biopsied during endoscopy.
CO:COLLECTION_SUMMARY All specimens at CM-KC were gathered from subjects who had fasted for at least 8
CO:COLLECTION_SUMMARY hours, ensuring consistency in sample conditions. Patients provided
CO:COLLECTION_SUMMARY age-appropriate informed consent or assent, and all sample collections were
CO:COLLECTION_SUMMARY conducted under IRB-approved protocols to uphold ethical standards in research.
CO:COLLECTION_SUMMARY Upon receiving, the venous blood samples were centrifuged using a Beckman
CO:COLLECTION_SUMMARY tabletop centrifuge at 2000 RPM for 10 minutes to separate plasma. The resultant
CO:COLLECTION_SUMMARY plasma supernatant was then aliquoted and preserved at -80°C. Prior to
CO:COLLECTION_SUMMARY undergoing global metabolomic analysis, these samples were shipped on dry ice.
CO:COLLECTION_SUMMARY Please note that for the analysis, both the datasets were combined into one
CO:COLLECTION_SUMMARY dataset i.e., merged dataset, for more information please refer to the
CO:COLLECTION_SUMMARY manuscript. DOI : https://doi.org/10.3390/metabo14090499
CO:SAMPLE_TYPE Blood (plasma)
CO:STORAGE_CONDITIONS -80℃
#TREATMENT
TR:TREATMENT_SUMMARY None
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY Samples were thawed on ice prior to extraction. Samples were prepared using the
SP:SAMPLEPREP_SUMMARY automated MicroLab STAR® system from Hamilton Company. Several recovery
SP:SAMPLEPREP_SUMMARY standards were added prior to the first step in the extraction process for QC
SP:SAMPLEPREP_SUMMARY purposes. In order to dissociate small molecules bound to or trapped in
SP:SAMPLEPREP_SUMMARY proteins, lysate was precipitated with methanol under vigorous shaking for 2 min
SP:SAMPLEPREP_SUMMARY (Glen Mills GenoGrinder 2000) followed by centrifugation. The resulting extract
SP:SAMPLEPREP_SUMMARY was divided into multiple fractions: two for analysis by two separate reverse
SP:SAMPLEPREP_SUMMARY phase (RP)/UPLC-MS/MS methods with positive ion mode electrospray ionization
SP:SAMPLEPREP_SUMMARY (ESI), one for analysis by RP/UPLC-MS/MS with negative ion mode ESI, one for
SP:SAMPLEPREP_SUMMARY analysis by HILIC/UPLC-MS/MS with negative ion mode ESI, and remaining fractions
SP:SAMPLEPREP_SUMMARY reserved for backup. Samples were dried under warm nitrogen to remove the
SP:SAMPLEPREP_SUMMARY organic solvent. The sample extracts were stored sealed at -80C if not analysed
SP:SAMPLEPREP_SUMMARY immediately
SP:PROCESSING_STORAGE_CONDITIONS -80℃
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY Low pH polar (LC/MS Pos early)
CH:CHROMATOGRAPHY_TYPE Reversed phase
CH:INSTRUMENT_NAME Waters Acquity
CH:COLUMN_NAME Waters Acquity BEH C18 (100 x 2mm, 1.7um)
CH:SOLVENT_A 100% water; 0.1% formic acid; 0.05% Pentafluoropropionic Acid, pH ~2.5
CH:SOLVENT_B 100% methanol; 0.1% formic acid; 0.05% Pentafluoropropionic Acid, pH ~2.5
CH:FLOW_GRADIENT Linear gradient from 5% B to 80% B over 3.35 minutes
CH:FLOW_RATE 0.35 mL/min
CH:COLUMN_TEMPERATURE 40-50
#ANALYSIS
AN:ANALYSIS_TYPE MS
#MS
MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE Orbitrap
MS:MS_TYPE ESI
MS:ION_MODE POSITIVE
MS:MS_COMMENTS Metabolon (LC/MS Pos early) - MS/MS was performed on a Thermo Scientific
MS:MS_COMMENTS Q-Exactive high resolution/accurate mass spectrometer interfaced with a heated
MS:MS_COMMENTS electrospray ionization (HESI-II) source and Orbitrap mass analyzer operated at
MS:MS_COMMENTS 35,000 mass resolution. The MS analysis alternated between MS and data-dependent
MS:MS_COMMENTS MSn scans using dynamic exclusion. The scan range varied slighted between
MS:MS_COMMENTS methods but covered 70-1000 m/z. Note: In our dataset, cells marked as 'blank
MS:MS_COMMENTS (i.e. empty cells)' indicate that the metabolite was either not present in the
MS:MS_COMMENTS sample or the measurement fell below the detection limits of our instruments.
MS:MS_COMMENTS Essentially, we didn't find any trace of the metabolite, or it was too low to
MS:MS_COMMENTS measure accurately. On the other hand, cells labeled 'ND' (which stands for "Not
MS:MS_COMMENTS Detected") occur when we consolidate data from different experiments. If a
MS:MS_COMMENTS metabolite wasn’t detected in one or more of the individual experiments but
MS:MS_COMMENTS was present in others, we mark it as 'ND' in the consolidated dataset. This
MS:MS_COMMENTS label helps us understand that while the metabolite was identified in some
MS:MS_COMMENTS datasets, it was absent in others, possibly due to variations in experimental
MS:MS_COMMENTS conditions or sample differences. By using these distinct labels, we ensure that
MS:MS_COMMENTS anyone analyzing the data can clearly understand whether a metabolite was
MS:MS_COMMENTS consistently undetectable across all experiments ('blank') or if it was found in
MS:MS_COMMENTS some but not all ('ND'). This clarity helps in analyzing the data accurately,
MS:MS_COMMENTS avoiding confusion between experimental absence and measurement limitations.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS Peak area
MS_METABOLITE_DATA_START
Samples UKAN-00607 UKAN-00608 UKAN-00609 UKAN-00610 UKAN-00611 UKAN-00612 UKAN-00613 UKAN-00614 UKAN-00615 UKAN-00616 UKAN-00617 UKAN-00618 UKAN-00619 UKAN-00620 UKAN-00621 UKAN-00622 UKAN-00623 UKAN-00624 UKAN-00625 UKAN-00626 UKAN-00627 UKAN-00628 UKAN-00629 UKAN-00630 UKAN-00631 UKAN-00632 UKAN-00633 UKAN-00634 UKAN-00635 UKAN-00636 UKAN-00637 UKAN-00638 UKAN-00639 UKAN-00640 UKAN-00641 UKAN-00642 UKAN-00643 UKAN-00644 UKAN-00645 UKAN-00646 UKAN-00647 UKAN-00648 UKAN-00649 UKAN-00650 UKAN-00651 UKAN-00652 UKAN-00653 UKAN-00654 UKAN-00655 UKAN-00656 UKAN-00657 UKAN-00658 UKAN-00659 UKAN-00660 UKAN-00661 UKAN-00662 UKAN-00663 UKAN-00664 UKAN-00665 UKAN-00666 UKAN-00667 UKAN-00668 UKAN-00669 UKAN-00670 UKAN-00671 UKAN-00672 UKAN-00673 UKAN-00674 UKAN-00675 UKAN-00676 UKAN-00677 UKAN-00678 UKAN-00679 UKAN-00680 UKAN-00681 UKAN-00682 UKAN-00683 UKAN-00684 UKAN-00685 UKAN-00686 UKAN-00687 UKAN-00688 UKAN-00689 UKAN-00690 UKAN-00691 UKAN-00692 UKAN-00693 UKAN-00694 UKAN-00695 UKAN-00696 UKAN-00697 UKAN-00698 UKAN-00699 UKAN-00700 UKAN-00701 UKAN-00702 UKAN-00703 UKAN-00704 UKAN-00705 UKAN-00706 UKAN-00707 UKAN-00708 UKAN-00709 UKAN-00710 UKAN-00711 UKAN-00712 UKAN-00713 UKAN-00714 UKAN-00715 UKAN-00716 UKAN-00717 UKAN-00718 UKAN-00719 UKAN-00720 UKAN-00721 UKAN-00722 UKAN-00723 UKAN-00724 UKAN-00725 UKAN-00726 UKAN-00775 UKAN-00776 UKAN-00777 UKAN-00778 UKAN-00779 UKAN-00780 UKAN-00781 UKAN-00782 UKAN-00783 UKAN-00784 UKAN-00785 UKAN-00786 UKAN-00787 UKAN-00788 UKAN-00789 UKAN-00790 UKAN-00791 UKAN-00792 UKAN-00793 UKAN-00794 UKAN-00795 UKAN-00796 UKAN-00797 UKAN-00798 UKAN-00799 UKAN-00800 UKAN-00801 UKAN-00802 UKAN-00803 UKAN-00804 UKAN-00805 UKAN-00806 UKAN-00807 UKAN-00808 UKAN-00809 UKAN-00810 UKAN-00811 UKAN-00812 UKAN-00813 UKAN-00814 UKAN-00815 UKAN-00816 UKAN-00817 UKAN-00818 UKAN-00819 UKAN-00820 UKAN-00821 UKAN-00822 UKAN-00823 UKAN-00824 UKAN-00825 UKAN-00826 UKAN-00827 UKAN-00828 UKAN-00829 UKAN-00830 UKAN-00831 UKAN-00832 UKAN-00833 UKAN-00834 UKAN-00835 UKAN-00836 UKAN-00837 UKAN-00838 UKAN-00839 UKAN-00840 UKAN-00841 UKAN-00842 UKAN-00843 UKAN-00844 UKAN-00845 UKAN-00846 UKAN-00847 UKAN-00848 UKAN-00849 UKAN-00850 UKAN-00851 UKAN-00852 UKAN-00853 UKAN-00854 UKAN-00855 UKAN-00856 UKAN-00857 UKAN-00858 UKAN-00859 UKAN-00860 UKAN-00861 UKAN-00862 UKAN-00863 UKAN-00864
Factors Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Crohn's Disease Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Crohn's Disease Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Crohn's Disease Sample source:EDTA plasma | Group:Crohn's Disease Sample source:EDTA plasma | Group:Crohn's Disease Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Crohn's Disease Sample source:EDTA plasma | Group:Crohn's Disease Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Crohn's Disease Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Crohn's Disease Sample source:EDTA plasma | Group:Crohn's Disease Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Crohn's Disease Sample source:EDTA plasma | Group:Crohn's Disease Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Crohn's Disease Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Crohn's Disease Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Crohn's Disease Sample source:EDTA plasma | Group:Crohn's Disease Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Crohn's Disease Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Crohn's Disease Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Crohn's Disease Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Crohn's Disease Sample source:EDTA plasma | Group:Crohn's Disease Sample source:EDTA plasma | Group:Crohn's Disease Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Crohn's Disease Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Crohn's Disease Sample source:EDTA plasma | Group:Crohn's Disease Sample source:EDTA plasma | Group:Crohn's Disease Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:JIA Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control Sample source:EDTA plasma | Group:Healthy_Control
S-1-pyrroline-5-carboxylate 1804309 1194332 998246 1734738 1161214 4354241 1479058 1727655 874314 1284479 1515388 1892552 1420216 1638069 2509488 1156966 2198083 1639797 849927 1622126 710742 1226751 687454 1265959 717645 1326553 1042131 449863 922757 524084 1310290 709073 824802 1489022 1583539 710698 681776 3111884 1183448 1312486 912399 1835838 1892524 3300641 1944354 1747961 2131313 1417991 860135 1939229 1413584 1266870 1496338 1479387 644431 2702692 1523444 1622823 999759 706834 1451488 2090823 899936 2315552 1741798 1248821 1159811 889644 1421744 1466853 1677676 990668 2069389 781348 1306687 743788 1078831 1855582 1574636 1156980 1776767 1510545 1499230 970605 953433 2139185 919755 1904596 2066297 1813446 1873648 940051 1391926 458166 1542776 2361292 1078124 1442318 1725102 444827 774831 1108433 225887 1085345 2256177 1086362 370173 924961 1253016 866378 89377 1359233 2048304 6031342 2822299 3293922 3286420 2367960 4998342 2414725 5129463 5698050 5051369 9007311 9325655 8598619 4384612 4280846 3759047 9639036 6352888 9821121 13418821 10494612 17915318 3086077 11283588 14300107 10344733 7561986 7541076 5516973 4053588 3849164 5119032 2275441 2849248 1550053 4122889 3049306 4236058 1932073 1820859 3003811 3670252 3894276 2912681 2153300 10818543 7174903 10774326 8906285 7916448 8242069 10251424 8088125 14457929 5087204 7882623 6591538 9769873 4574677 4259069 1511195 6220076 5101353 3946453 4070879 3364481 3171402 2767534 1838169 3909109 9355416 4010017 3037912 3304497 2626556 11061141 9860184 8698578 15094875 12489615 13471950 15560247 11477415 20011411 10228595 8727346 9771776 17304973
spermidine 152720 391329 554588 1313989 609086 1161674 727861 496169 970214 512037 992528 574676 512894 645136 424837 127532 1392041 508104 3609900 1157889 117423 114329 140678 659976 238142 510747 116361 100912 53800 363194 1497673 198461 174017 104611 100635 223210 133303 257740 140099 102481 376131 180025 230141 420246 351356 503587 395406 219974 276185 232028 520536 867187 510897 501859 727000 414958 157673 389612 888790 371716 278643 264084 369480 224801 638700 406086 57484 112092 121780 222410 151615 97895 170135 270966 207049 845299 256496 315647 244048 244584 317622 323484 1719557 78055 417093 572500 1061479 644345 642522 465276 795437 291070 218050 366836 565926 886772 1219294 2809091 452013 2733307 163149 425819 68177 141589 121298 390852 50728 176768 84853 387956 181314 455871 182681 240484 565759 135257 82974 269420 1167242 75061 275570 97706 304254 196049 417128 1101048 103025 55536 593261 239985 241231 590117 530276 227384 425187 300770 288809 442110 242579 465652 1035817 386705 393288 347168 2037543 323947 374714 414181 369148 431620 803369 237712 879776 3739790 114297 309865 501474 816040 301813 122012 119604 182570 473338 96570 195341 747312 1141615 161017 227735 352687 292187 141968 742283 206185 270795 191316 68122 193257 314612 206389 191370 154374 478961 116531 1226924 318934 104162 266604 867271 187946 1963257 918459 557047 296742 618872 867045 650602 207664 178302 252902 412045 429191 215028 249947 186968 197863 231291 327218 236874
1-methylnicotinamide 1962834 1436292 2316603 501430 759945 1285310 1281563 489370 124124 694172 1987790 575194 1204670 1461003 408040 760451 285093 990095 902682 933137 2966415 1670063 1433962 7737064 693349 2774252 1139935 933489 2382395 2302301 379504 1081800 1242118 1098865 1659813 1436443 1349140 3362578 2486819 1239958 698217 728281 750146 873050 459443 1009335 4556080 824680 783902 390840 1165474 831494 608641 2661347 1380553 1342944 718682 2401777 347791 884174 8912935 1888344 4427660 2426212 1744621 1419835 1497362 2558303 2878418 2897825 1167964 1893557 718043 1722278 1945326 624704 331779 1782268 825804 737257 672726 932389 264661 498589 846154 902360 629271 954559 512506 1542000 259586 940625 345652 1267035 834976 707990 1205024 783563 951221 625891 1395065 4082469 1733955 1016393 1265700 626016 1081750 1502876 710138 810520 3600060 3926354 2531175 729025 752788 1694111 718524 2237667 867657 1171402 2756078 1141454 1445393 3966326 1792460 2028915 1704534 821304 4730681 5889491 2073781 3403553 591602 2543286 4254503 691813 693276 2160448 5554398 2987132 2138799 2216093 2010587 2564932 3880655 2407797 3684470 8809471 3154178 5165209 2076244 927704 1569280 1575203 1477624 2013583 2444197 2643045 2719833 1333122 2051043 1905479 2558064 763337 1806338 2224200 8377016 3016819 2247422 4141643 3393259 7361261 9030159 3414088 2219141 1791424 511543 2185648 6496549 551380 8491803 3811377 2138794 2291521 499779 874780 5583186 2175711 4089778 2188383 1302432 2907954 2341241 4187345 1803960 4183343 1957926 3007176 899935 2708229 2736329 451088 4328760 3677373 2539747 3527321 1221422 944785 4919026 3311861
kynurenate 1428749 853638 900770 614973 596908 607640 1722221 1121984 562110 716335 2311432 811962 603530 962536 3956780 676776 506639 1000856 325348 1066641 1180462 1441439 1520521 2529650 572824 917959 687138 710651 374100 1312927 721323 634303 777673 570500 787440 457673 365287 624144 397154 954997 865158 283328 715722 761856 1625801 953940 1056086 542329 2089264 1115893 915541 1047495 751747 1047323 1151321 717023 809907 926943 517959 977963 1711646 2241853 1513557 1417960 386611 1103475 1005928 623193 921177 2058878 400583 1842813 922713 773985 1187796 1430522 766863 182833 378266 357512 604302 2339320 642030 830217 685831 681089 790100 783348 775765 1064848 495805 1375633 1247855 1146405 1058962 519246 373369 894560 753255 797531 1051069 531162 681641 1160399 1194421 486190 1270814 321224 760108 513708 778255 1001559 881865 684082 507293 1012921 261897 1725172 172343 662174 2694623 6576085 1934851 2305147 3583158 3580979 1839290 638284 10063168 4864978 7891713 2757377 2571745 5059596 4021081 2655905 2887392 2743738 4816819 3261987 2587261 5545777 5099349 3393013 3481878 7002522 2359466 5211558 3774410 1766831 3467863 2438034 2906128 1797919 1328937 1501196 3346541 2668901 3851849 4292700 1993027 2175897 1951496 2716264 2544806 3666000 2321866 2656448 1319028 4024780 2169346 2702990 4578460 2918570 4398528 5629305 813383 3245373 4045992 2068516 3201672 3212229 2063685 2507394 1493421 2675140 2878823 1267167 2511727 3786064 1997085 3720548 2322627 5214573 2887189 2501863 2922295 2357863 3322259 2644906 3679058 2723684 4157763 2730288 3516683 6253916 1323426 2838518 5445526 3969908
3-phosphoglycerate 289226 1101349 1609915 2694383 967926 1567936 2231153 1593593 2931856 2488472 1776542 1141987 1371055 1999518 944212 685462 4066850 1331562 4291552 78466 401945 122059 768957 328933 687407 166714 566712 121109 504619 1964591 238200 207102 93360 102408 437921 96828 66429 264611 192913 448725 1336017 806135 468508 718328 1280713 281781 710207 1360625 634205 1373268 2149815 1990198 990848 1448873 1495662 757588 4151766 1970089 816326 695393 571843 137352 104968 190601 465891 935380 215518 387696 700204 440224 119850 359694 177390 304652 2414330 354729 283207 349432 191272 540750 1254718 2516549 701238 1458474 1615948 4628539 2028041 1856243 821759 256187 492937 532301 1224062 964711 2148281 3466867 4326316 917120 4593468 279898 285478 369309 390284 275205 497710 233985 531220 113119 668604 258741 170231 750080 489420 739160 289467 122823 367596 120991 662521 474252 1308786 872531 865439 1630026 350760 2573002 538212 356335 870061 1664296 499849 1734737 1167791 808597 451300 334792 849382 1018032 442924 486844 542487 2893936 603672 817051 1317677 420066 503826 1270395 334985 1528716 7818040 625144 629431 766826 2209516 605757 444593 627563 846948 674884 962725 772769 864404 5055744 699959 819640 744295 478403 401495 447081 460456 566505 626689 266247 382548 640406 572458 453389 341494 884256 331125 1486968 611752 774987 877860 369229 1176033 676719 3299124 1180205 741419 1486707 606790 1020190 1037828 666200 360997 1392385 389129 355682 689038 567232 670108 784902 712219 804628
"5,6-dihydrothymine" 1188848 1009104 843930 1118943 538634 572976 804823 960782 602690 1122670 899285 773220 502130 715465 1220419 903571 1030033 1010030 1329876 1413115 1378563 751116 1406977 1691966 1138733 1255140 698562 800633 371625 1529876 335990 1533182 715974 645971 696777 903242 1353975 530378 1085864 905432 669864 478946 869353 940784 1001791 770027 730560 1068812 873673 820696 1176559 1255446 831549 1116565 1213537 1311553 928451 1541092 1413077 1359723 1178313 1019977 1598880 756328 1560396 1556670 488772 1443924 973002 1470515 1018111 1135083 1281699 1265583 803898 823996 670769 1200236 616967 1004377 626903 1537303 575990 799307 1590086 705866 530067 599467 805314 1511731 1382788 1045249 956909 1170518 674172 1396586 1479246 2227026 775997 466214 1493750 546008 879749 1052851 874531 975776 951129 1387784 1227923 592030 1431333 961369 780019 1122923 1175565 835710 2854567 1254913 1660404 2501473 1545147 2370130 1202496 2472485 2037989 1086015 1012368 1497460 1848056 2571921 1710104 2120581 1548615 1608166 1710257 2035216 1977592 1064169 1537784 1483203 2171047 1539204 3057543 1144456 2344571 1635345 1238485 1700892 1361607 1307651 2266009 1524877 1680957 1253587 2021501 1315333 1226728 1724680 1561977 1330539 1336947 1358364 922438 1116218 1296668 1243361 1798004 1253914 1667314 1603702 1793534 689086 1531867 2363207 1112909 1639999 1756771 1010135 1639882 1120449 1374347 1865156 1335356 1267024 1475696 897643 1861610 1873411 1669895 1096018 2378532 1986902 1494291 1850914 1607325 1504770 856296 1611596 938888 1838295 1375571 971390 859094 2046806 1390855
quinolinate 1971052 2709899 419539 1079214 475502 409978 1495400 782181 541145 1043275 1661331 560420 674580 647008 889002 1003033 765878 777319 1842412 748931 558426 612518 678674 1237810 595811 461758 326397 422498 1065806 1237899 807758 1031359 580697 349057 482588 713272 621668 246410 1062588 812361 545603 515173 712950 800833 627484 887653 499241 479720 736746 1292399 1105642 874059 1141324 486858 515847 705880 1117331 769723 431239 3780345 1283742 859809 1020569 2676482 973627 402941 579842 342723 623547 785010 573045 543827 419616 1316289 475848 481659 607798 511510 195630 1588651 369094 951564 325816 1059243 982799 607062 667721 871925 433838 667873 244116 8347084 1163201 845195 8171702 1292810 797424 373172 615268 784861 660680 533320 355931 505014 576290 1208072 385693 751040 741257 672557 503788 713421 488037 546394 753369 614270 1166806 611754 126266 347730 1826628 851007 791146 1476860 1063882 893916 609599 158426 41499441 1156597 5669852 877270 1764035 1354050 2220766 1693364 1187156 954053 1950315 857479 948132 1710468 1018632 952092 445876 1273840 1032695 1653819 965259 362021 1062041 1258442 1452635 800691 878177 660623 846270 1224693 508642 1454443 742099 862610 1554918 1234840 1122201 811686 436387 637615 502253 331036 931898 1020377 628235 376169 698743 1169938 172752 628564 738687 424655 2506983 1829467 943625 1341312 604321 869310 919517 521374 830065 585937 918935 1530284 1570454 939006 1504369 936171 661064 481159 625341 706180 971816 502249 1232480 484009 897269 1709635 329236 857137 597527 1037344
"N6,N6,N6-trimethyllysine" 19332080 14152873 11346464 8209541 8923943 7846129 11129325 13223051 18965008 7203743 47395863 7031500 7645458 12243719 12517897 7479086 10666232 12198286 10247231 13661305 7134837 11331793 8405749 10442987 11767735 7237102 7773469 13701912 8158033 15972780 8332431 10810600 6960798 9469463 9230075 10816482 10000992 7834377 9028262 5402898 23029817 2299833 5622750 13332483 10046822 9048787 8949694 12115195 32809868 11332073 7791618 11401068 6832566 11800892 9683826 8091447 10061405 13726117 13923787 14824192 12984363 15289890 8846307 19757437 13329648 14371545 14971738 11019032 9537879 10714696 12346310 14669990 9426418 12676995 11741673 17662123 11555802 8467960 10451361 9816376 7676444 10325392 15873114 9337626 7526947 8185215 11567478 6522779 7426468 10112235 8955995 27491403 10702205 11650942 16260320 5950711 12542065 8833316 10094870 9062548 8395940 7120426 10346871 5776516 10199526 8120688 5628661 5468830 5932510 6924401 8165655 16696766 7052303 14756908 12864607 9790250 7301539 6111460 5739966 6067149 20155483 44276819 19655069 26081490 23074893 22236599 32704706 2499379 48682331 34106306 28653766 31821992 44098718 31613607 48761352 34273859 24584243 33257241 40431324 40060322 31680887 70258643 52750669 52285159 32055742 50052823 45447849 74414093 40325301 34469900 15269549 13588402 23199056 24323022 14382422 19611358 28070630 18074853 22129820 47318429 21129240 36448064 16869586 38583089 22052919 27886313 24642451 17005522 31901163 23321771 27531486 83632823 47398534 45403109 19830795 35500657 8345441 22364782 32365847 30781669 28064410 18865463 27974534 19763031 21864236 61778908 23462795 19710487 26502190 20478058 18999794 40614867 25814848 26840459 27735912 26311208 30237994 35754312 30035703 28744853 61598440 20109861 34586889 29361316 33970045 35290343 21206436 20093839 33827671 35520975
N-acetylputrescine 790741 661325 553492 771979 414776 794818 728330 642679 563363 537229 850814 714686 491214 548179 703969 1073961 591097 528676 813249 688406 960142 663934 1105054 1497112 2041638 788161 507812 596825 384976 1014572 724870 673431 799759 515484 590382 645555 1111700 629978 987097 803342 580156 414239 617135 524118 450020 945130 442650 414122 607755 1008989 673557 640421 615557 614260 557672 564935 753951 812322 559662 364709 1249990 925856 734295 1095531 708925 638478 756676 810736 792544 858246 513717 990113 650045 870159 689489 670380 1288443 1172361 1081340 915049 802974 560080 722288 642374 707351 550705 785203 883569 557804 710015 417917 777313 1047038 718352 1081478 864286 722805 596059 633055 877342 930766 904179 640747 1217986 740889 948040 613365 784912 669256 794972 863083 1191563 1035340 540661 1127777 480986 2252120 1339828 563801 531998 6308526 3729940 5156306 6439516 4933533 3861422 4121218 1173893 5977291 3255979 5231613 3434403 4412723 4590069 4785945 5380498 5892657 3739514 5879375 4934427 2623287 6321243 4765569 6071286 4019899 6716801 4783837 9116218 4025604 5698580 3388499 3327548 4200374 3992816 3064495 4277440 3055715 3419864 3405154 4084008 3981251 3904315 3471307 4045208 3647539 3427012 3293211 2563922 4548835 3532026 4388112 5090868 4625257 3915795 5195545 4517092 1395800 4768238 3765828 3819021 4794931 4254484 3017002 4144148 4383396 4758558 4191554 3244247 3888885 2785301 3742214 5790396 6263238 4548037 3712651 4105757 3429242 5335273 3939659 4805510 5467208 3375030 3607042 3229104 4504197 5127680 3139384 2412970 4141315 4879524
adenosine 5'-diphosphate (ADP) 1587542 2473848 3328866 2110347 4723709 1038296 1345398 1673023 2520009 1542817 1474712 3231424 1766914 1211183 112315 4668485 981962 4124659 150374 128129 485072 1122346 2517986 338249 1293835 799367 490182 1160122 693468 1341666 293419 1891110 2294641 2819599 2210267 1668170 1904629 91164 599066 4398686 930175 127487 645758 214898 589933 1798997 3427764 1796902 1516583 3583761 1833357 1206247 1249819 526687 379501 1366337 1262112 4865630 2206999 425050 719032 1682471 1414997 ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND
adenosine 5'-monophosphate (AMP) 3446568 5904294 11475413 15436582 6572188 12848832 10960240 7106439 11993258 20055008 9765485 10675869 7645971 12901636 4653373 2099363 10997338 15024891 815574 13588757 708029 819081 616560 3451847 683905 2329753 501998 899479 747187 1360388 2564011 558147 647113 290143 203361 893151 438143 351668 6979645 886407 6426436 5888928 6174762 6595955 4112095 5240552 3106116 4375937 11296879 4562835 6354433 11483714 12384947 6184777 5846177 7490497 8904848 29792879 10092601 4004514 2042899 1492747 600057 1344584 3874915 946438 1909678 559456 983572 1631867 717585 597051 4251664 598594 826758 8832641 3098590 1389155 777226 439589 4255338 10408223 12485827 7794203 11630214 9418095 14574847 18419631 9544071 7081358 8923475 2032754 3827828 8733835 5965847 8244273 8024721 27028776 6955556 18339049 487346 924001 1266040 1095989 505178 1199329 806853 1156678 420247 1028296 494879 251396 1403879 542344 1928878 448210 659821 1377110 6336715 1228195 2243709 1213813 3973224 1648093 3464446 5880695 2401280 242864 5908960 646803 622724 1723916 22383157 1613085 5216495 8043466 1895897 979715 725522 9333580 11887512 2946431 1881392 1182933 41205170 1423478 4453496 4243652 3403706 1183717 2434335 1692055 4021644 29977265 927645 2333873 1722368 9011718 824826 2649363 1260712 628594 1455470 4506639 2076089 1456596 7800386 699946 1145057 1589934 1410702 959429 1177680 880332 3252275 1493935 772461 1610581 1090532 7563900 1676810 985461 7922817 549444 2097258 4285537 2021200 4066713 558597 1281425 1281562 22179660 15243092 1127629 5896184 909523 2117387 3711331 921282 2070419 689770 3258423 1176772 451290 2604433 1130868 2450727 3584556 3098841 919735
5-methylthioadenosine (MTA) 892227 488713 61382 328220 203832 325237 503623 365859 629721 128997 72701 307777 398259 105733 551790 253319 598064 478944 1217085 541331 362331 297914 359856 278619 466750 176109 325201 258667 236449 380415 129478 332975 327046 318515 350017 388819 386873 177819 266826 322337 455875 106777 248080 219674 202960 372194 258564 280119 564161 768235 385707 425527 306935 324825 303748 425766 361898 502774 424228 456319 521595 462464 513866 735107 230120 547419 400071 318205 397561 321125 532441 561660 427959 424410 218912 415795 417965 371364 435273 202911 246754 65482 248578 136654 367419 473322 243572 249227 329427 217299 694421 537036 159847 677257 252782 385058 328094 163428 493129 300135 378785 335800 386055 516658 331056 313853 323682 241799 293450 447588 405836 274160 485763 417279 428561 387967 302028 1882869 2809198 1428589 1679101 2244696 1082699 2194027 102091 2459885 1816411 3300348 1656043 1775488 2224635 1886785 1679407 1736543 1911218 2401042 887474 2346867 3200311 2631748 2315075 433863 2683685 1737006 2502974 3589172 1657155 1251369 1428815 1194494 128370 983158 1266572 1214660 692472 827730 1134708 1202136 1123334 854755 1549585 1388154 1348145 923084 935316 1389830 1211047 1886334 1383596 1529637 1530873 1780522 2025864 626545 1831195 1447211 1052543 1818982 1414752 701347 1633038 2267421 1348293 1721964 806091 1335576 935618 858456 1001392 1437757 1678481 1381553 1296438 1312177 1091843 1443462 1430646 1620688 921563 1811957 1449639 1887805 1953170 877368 1355108 1981387 1725758
arginine 488909753 515165916 695003178 581914458 339717905 506214185 584506354 515243794 344518996 598713978 589329850 500419199 408370196 658901640 395333957 360176812 507885399 386515572 708460318 393685382 477333640 592769650 489604978 419076988 568855977 446146014 883026892 629686591 368185539 575774593 431261992 577357146 548423038 596390020 575342948 647455020 323270438 414998043 545243363 310272108 661726701 294221632 516712579 422276407 740830016 445350419 891517533 501642713 632139621 483424318 560754137 448947204 628068801 734995444 534736530 443158577 376919764 177790077 548879721 510944363 651912963 706403894 400337566 760436583 759521874 668230087 675542519 874407862 532015169 507977208 714126032 712813531 489745900 683040552 620680606 652036259 409246242 365311277 571326822 445642483 584204623 661392291 833230464 355868738 615202968 444680180 584705817 402665147 332341345 677408312 628130992 968913000 502983799 615830560 640032822 544722226 381585688 194534750 347976569 448541359 494332223 641499063 706246951 309953608 595730069 476492942 344693343 444539882 501951132 384992209 530243904 855960265 571353060 700834475 407673727 702088355 454343289 321024507 496801771 554403092 529943004 1329473489 591962361 956096153 720852674 970453834 1235778662 225259780 305003032 894693427 481845078 776253219 1100673326 1116659220 1438535857 1184202985 743702260 1005527225 1491367963 1053599138 1323586291 1365208738 1224361667 1485850887 1056726941 1518782912 1886896207 1189567486 1109757962 1293800625 715859728 511226100 732366040 383643770 600014480 655555811 511146981 862025214 717519729 680093512 661155128 894792151 635450974 953201574 628034982 678426605 941838572 857299893 856876815 1176094571 1004758012 1136893522 1047394370 1109316038 849815618 1284726421 851768571 912232067 1040728054 1019081660 698124025 570364323 641033375 834184805 674316011 818713972 938216745 739291140 864802422 674933972 689754717 906482018 1059749013 804838964 558217838 658502981 715374675 1125184458 1215204421 1046616884 1531501978 864644200 1308815952 1088402382 1530491742 1257663199 868728258 943252035 1135854735 1275871396
aspartate 7968603 15210444 20803304 34804422 10299355 30511784 36019536 10397677 25562767 23396383 19089056 22799561 14395821 24495115 10280257 4919322 52994171 16599559 44909624 19023671 2784759 4783005 2532956 3701403 2779693 5382835 3941394 7539437 4719950 4302531 7820475 4116953 4290614 3848214 3761119 5900999 3260934 2933445 4602883 2471738 13332818 17920388 11381963 11865631 14639846 7046945 9943860 7543325 12224374 11394891 25121258 15382381 18016289 15131460 15027788 13713126 17985650 24691913 26234743 11301277 4619290 4528827 2333192 4089957 6484811 5667913 5879673 3477146 4534494 7223464 4511545 3710341 6408302 3307422 4067048 9510905 4031934 5306482 5744387 3956027 7446448 19518356 31587834 17191132 16911663 22988184 21467029 16576262 29518373 14263670 11175463 14617499 12463543 17078287 18678891 16297725 36446402 31766030 13995462 21045808 4005897 3077386 4612166 2880499 3908244 3385422 2508372 3579147 3387639 2945373 2961281 2844172 5212031 4618877 5263233 3830457 3261229 3171356 7580985 5073992 18449966 23109990 21542920 14314859 23362245 34420929 38773184 4115381 18810154 10575343 13690974 14329566 47731109 12465311 40166928 30133912 36693410 14697332 21497535 15883746 23272300 18515503 18996183 20338795 41528482 25821744 20592818 30957184 21760427 7660654 19775539 12479854 20771822 63841274 20378669 18819750 13548816 79050289 9869900 25121900 11232898 12405763 23464203 36115155 13423879 14849145 33373252 10959094 20156085 12354074 13134692 12966712 8727779 12691471 15072673 30152058 11030872 11645655 10448772 17801971 27771851 20944128 33427198 8272625 29872795 35173366 16813872 23615964 8548031 9322693 13793275 60074419 48906275 15386231 40855503 18053666 14794514 18233896 19635670 14545973 17896883 12662512 16546485 15641542 19523146 27232179 11705602 19817576 16412485 18668581
beta-alanine 25592696 20368683 20493927 27620308 18077038 25059225 22351343 21639963 21961930 21739557 28097141 14244186 15224344 21899694 14909416 19005216 49351963 23121355 21627667 20564900 15696421 13060803 13702104 17642129 13252034 13191835 14324630 13992690 8406982 14910763 9935476 15584251 16429154 13740472 14550690 14450531 12851710 9003416 12262898 10954579 25144135 14101867 14806876 21439942 23775967 22274751 12725463 26509542 22871315 42527520 19058605 23599310 20538639 17332942 16507638 10052205 15688642 18237077 32148181 10559712 21188261 15837353 15683515 10601625 12364649 10610310 11276994 12104312 13575140 15149607 10234510 11953105 16762562 14867646 15060961 19830958 18235769 19115724 13790069 13759657 21584544 24996951 26784285 16972510 22564704 16568680 27765491 13914018 20697310 20044528 8572446 49208146 38232575 16927763 31683328 24575001 18252524 19298208 16870925 15718390 9905225 2590854 14634471 18193732 12741283 8765317 11910815 12035990 11379823 7356317 10473245 13535195 13165687 13745941 11913919 10077232 15225823 12748797 3725455 10729741 35026195 45324358 31456139 25163158 37725965 55478958 53069242 10886003 58554656 41591728 30587288 39891242 73129113 31800140 41954914 51478257 24121205 33686713 52263304 25311200 51030740 64356364 50883924 43503900 23186175 48531289 137821397 119623669 66397349 49733581 22371734 24907986 31441740 21772421 17186131 28185082 19915332 32420132 22844562 22639424 15862379 33393075 26791996 41284065 21074496 23750496 27407188 23970917 82700137 33013942 19909262 21262677 25246572 112955806 38817316 47128733 77139863 42891186 27289233 45210808 28363362 22121180 27708783 28628865 28273840 38264887 46276549 20239326 21764459 22856553 25480066 37582115 38019246 36536919 29555525 24490171 27209495 120321006 20216480 32541019 46591196 24527798 33881163 42611958 99070003 87870861 23540798 33231505 42079346 49720230
carnosine 86717 119410 1749695 57394 1110472 186663 119212 194373 665617 456854 85450 74971 81524 232836 106076 163611 459376 2800182 1786557 109760 2040193 62835 96367 296511 30865 41659 22144 29626 75371 73563 151650 135239 264826 425511 119754 64514 116950 1047964 797249 68340 36857 999054 172397 49469 255078 221920 607389 47696 119720 794486 42169 7438745 321317 80793 75020 35002 80564 106875 221892 80316 109056 110262 290098 42806 39028 1528923 202353 108565 883166 481511 113703 412149 497323 326452 193152 81630 179262 1844232 4236354 309626 661130 150416 294461 433988 134526 132401 305936 680858 412121 56849 204122 678998 369352 468994 139170 84752 119541 103540 106173 74050 102372 111126 458995 78789 205530 187823 1422164 1920757 239772 141030 356579 82406 639314 310915 112153 701996 170473 328759 355167 213782 158842 266040 349156 354801 323650 344569 755161 78084 93168 1006166 2894992 177030 161001 133317 156303 358791 901882 89241 337436 455200 228707 939339 5233136 33410431 219776 135040 243152 158408
choline phosphate 6276471 8904417 9675398 17941870 12821624 19159347 10250876 9392203 9443302 12859803 11857972 8844611 12844064 8510221 9800480 4122655 22473399 12277236 18049377 16931185 3701367 2767963 4266386 4055499 3418622 3926867 4447155 3390554 3414013 3483488 3393222 3430846 3192324 3015517 3229445 3080477 3452354 3945253 4797405 3259420 7143414 6387784 7928616 7851879 8482114 4839338 5625648 5546378 6920324 6332402 10399696 11571107 11352453 9301486 10766784 11172251 5422897 4888339 13129488 5145984 4614787 3611837 3294779 3768158 7136381 3113826 3589606 3806071 3655101 3428586 3255912 3232497 4870512 3637356 3218710 4283723 3190683 2811421 3317821 5131730 7626389 7125346 10584438 3799541 8461822 8898975 14261261 10490280 10096537 7807166 8342206 6184710 5664496 6088892 10043733 10676489 17873843 4855502 6906401 10884182 3877504 5190820 3424853 3008459 3229864 2898620 2629514 4282558 3336327 4329731 2941184 3445778 4650221 3538656 4571958 3788058 2906627 2810696 3239569 3755902 4663166 4548626 2532214 3381341 4781786 5806949 3450532 630001 3304348 3869731 3440166 3959997 7598170 5825736 6412160 4589644 2540244 3023687 2383168 2354904 4587904 2929522 3124598 3857339 4125033 2980832 4930851 5674600 2862542 2813866 6190055 2698335 7071047 11361046 3055805 5032377 4681436 10536937 2831692 2585648 3028390 4089275 5685733 5623440 5768700 3698026 12791630 2453710 3838146 5437699 2573034 2827623 2272709 3614495 3512984 4703909 2088506 2894671 1846654 5522454 2004846 3076453 8487301 3213717 6449040 3607145 6573852 3542986 3859197 5255362 2364285 16574790 9948898 5209188 4034750 4810475 5034609 3993395 4411399 1824768 2623494 2485834 3723074 4150520 4246977 3971012 3114242 3584541 3980242 6074254
cortisone 46677 101986 63583 38507 39381 98758 33872 43352 40429 110227 69169 116575 23510 97146 113689 108444 73684 146813 93593 112509 103633 75384 83412 123562 69723 153680 113519 84875 58378 115834 58588 73752 107136 101294 79357 87727 52019 69353 32229 41566 110755 38166 143064 53413 68881 87110 172040 117199 124022 150384 57254 55145 145696 136732 89437 39187 112004 94161 75542 86255 129381 65340 111463 42959 149977 76188 23914 45696 45262 140392 74597 35413 86482 43038 72234 59428 147603 41556 72068 160492 101973 111353 40999 99250 34104 94863 46856 114796 134007 94541 57931 70767 100476 38330 70922 87982 59154 811685 152119 339334 247175 255910 201894 463139 303996 169399 273232 178515 178964 292566 227371 367398 244426 327770 209996 658201 222838 642066 192280 441210 456910 432301 355357 621427 361545 398791 1073951 762000 428437 616431 620820 453010 387919 564747 892188 172673 178261 448087 832416 583349 567589 111829 916955 442241 481670 582793 459865 338068 1035454 660031 947448 414122 132984 242990 649102 120555 915431 752173 1190678 707830 332169 244295 706629 779800 640353 1050696 942674 1605302 533614 821954 424204 1022657 677858 776137 913830 1090589 170912 1017275 716972 720405 531927 291190 379544 548096 783043
creatinine 476534311 349501404 399098361 308843136 420933442 231325589 256756983 515018354 486452887 228959910 425846092 386762499 416101538 409873436 524425966 215388493 472130053 365634414 226869485 512918833 294489435 408806664 295356952 369513973 615399504 315217977 308430284 569993629 445661817 654058678 459429768 420393035 310499113 487670361 498323258 431924580 413004712 412849926 373824594 405508111 449189947 167321752 300287148 273346211 543476223 339878837 529232777 467183579 706455198 537692202 461093260 264272627 222059657 395476506 431504228 428918732 363071819 312232805 457939550 458782750 238233244 436736359 454730235 698994406 511636383 541703053 576028176 535659229 379060535 514176311 478425971 615941949 436486342 434076117 564104739 598136623 572796410 431245358 619727670 509519925 385568185 346327451 362451844 396102266 237474765 355267468 354972904 251667123 402000554 439011772 411464092 440854339 510555072 518415204 352819277 226053688 421441140 389499784 397863444 318690500 401170367 343342038 359669597 399913210 666089395 489706310 436370231 379289935 397572427 442082980 656552221 610159030 365713559 536831035 600538420 554482457 290651607 322335255 277129001 294725710 772352215 1224982827 910398865 1173633674 1136554785 1324486188 1566036607 210101717 2006481664 1550440965 1588874567 1512972409 815575035 996949207 1580621732 1369479563 1361257487 1824258206 1984452278 1427736174 1593470413 1877599462 1499123020 2049023609 1561380944 2001160662 1606832448 2468656825 1687149731 1787223342 777889225 735989882 979585361 891508926 1105903921 1041493959 1341915521 1253070863 1301123572 1508616642 1387768996 1524732586 604133267 825103677 919023078 1338971220 1348990541 1356453899 1441079169 1419471831 1479447393 1606347932 1976525094 1976292007 1379188065 1893185854 654363667 1170571359 1448802807 1452385829 756348931 921059755 775442014 1077368986 902895382 1284417906 1266744606 1184284403 1339335911 1481967795 1348026847 1007652164 924930970 1014251504 883414581 1068505761 1728294864 1455275401 1444762944 1278541004 1940107997 945800284 1789955763 1447071758 1769714132 1391973084 834983473 1241015222 1505810494 1794098953
cysteinylglycine 1557833 913814 1856761 1192763 1813155 1757914 1029298 2252258 2021911 1085956 1138301 892970 1256167 1302676 951330 1181926 3363899 1046485 369499 1742130 1634994 964618 654970 1417515 2413875 1076567 1054059 1519132 1695322 2921851 3143005 1680789 1569983 801854 1065475 1029516 936940 1485180 1302701 1529579 1395206 854556 1090607 1220526 1189947 1270682 1247740 1118254 1740779 1270576 938885 2137141 1592210 2518702 1544841 1073959 1676945 6590610 1281501 558141 1589569 1516926 1663915 2582978 346514 1484124 1382388 1074314 2558341 2532699 1720553 1173134 1889655 1477508 1059594 1310383 2358180 2025268 2087128 1480197 919349 1433615 885998 915931 786244 1057112 1533684 1043819 730353 800800 1668728 1099527 507892 1077187 665213 1497781 1508060 2114280 1307162 1396654 1019701 1067580 1769200 940723 1221744 1091730 1752171 1627574 1495084 1244654 1532643 2313764 2183082 2035137 5301000 1064269 789034 2406457 3605342 1515084 4702010 3568424 5440155 5141623 5738319 4722906 5303423 314800 7119925 5140892 3198825 4861904 3727924 2799254 4579072 6242841 4674416 6550707 5210139 4563887 5524322 4825522 4465366 4103007 8551944 2624095 3640435 1798752 5476300 2008447 2850003 3653860 5076319 1936881 3586421 4184516 5943383 3834687 5780051 4318107 5104434 4464058 3658858 3142995 4586807 4826820 6764070 3725386 737133 603889 3594407 238311 6663598 5026809 3773944 3910089 1099356 4531785 1915738 4150368 4157048 4790038 3660939 4933794 6453411 5993172 4727379 4013886 5586864 5873551 3956319 7859245 2155635 4679381 7636338 5525971 5602062 4898525 3668685 4339702 240865 2429419 1047648 802005 3035699 3049425 1972385 3855393 1956731 843312
cystathionine 571481 162607 142989 110164 60533 164591 334645 410272 236080 129560 842513 94517 108434 141952 228765 90056 209200 134100 190485 202954 100817 130407 136999 122605 239435 74650 107407 171865 70820 122507 147703 250623 78717 236480 63973 108472 399369 93497 127026 370983 174381 110811 200559 669291 256224 172255 101066 131363 103049 109804 172095 265471 134454 245053 120106 182102 167704 285458 158792 100572 92140 227983 214884 356314 277467 151591 242274 63366 120214 88850 191242 342557 85461 198817 74164 211867 145108 146484 144608 52207 494262 260001 279542 417435 95876 67110 147107 146996 63436 191970 54985 152249 71819 57032 132964 116370 136724 124335 88762 228424 176262 107661 214126 611231 472256 578100 825797 70873 2072336 488281 2805663 303027 1211075 768216 1062904 921611 568907 409877 1723444 607932 658377 1203300 698882 876292 911258 1105577 477262 878370 360990 377235 484530 422895 413637 544622 489710 482941 225654 1141694 399521 335860 892479 693064 325239 312797 301135 545563 2591503 572607 1689749 465788 565704 784544 926720 340829 396509 283829 655853 1541493 571256 441206 211633 905954 932663 361716 320421 434322 311061 201457 526646 452889 501232 296022 506713 431050 650819 551790 412022 458764 578874 379158 605106 523145 883633 429953 1076935
gamma-glutamylglutamate 400495 288452 248110 316778 152928 158725 182050 233927 58994 424525 383612 236655 250067 305715 382035 258932 510729 108531 850768 276101 103247 198010 107368 109021 225511 114456 477124 115540 250597 230733 176511 257525 137516 144973 222395 161328 68082 74863 73118 299095 115281 269653 181791 120226 186274 215652 103352 257450 347818 310415 439419 435977 271330 508055 214886 198182 83185 288085 422453 144340 308465 206370 232412 159463 288417 440968 177118 165180 267333 209809 38187 221625 237307 172601 351332 278617 230735 277167 278739 256779 497040 593557 147178 348880 176065 252679 93587 177267 168131 711565 350469 418843 52742 556957 159287 54700 95468 346093 200021 72331 145385 115980 224021 207284 56220 94823 68012 90867 258895 222906 197035 271492 145092 108901 194748 149744 980209 1187567 1283373 781051 710796 1161170 1253522 649101 1143857 1251392 839316 2030420 1002187 1646089 811482 697006 770946 1909109 1429218 1885630 1783432 1160459 1892817 993272 2323412 1492779 2023246 1266555 1045083 1135236 913034 1622056 3619968 967705 1672504 891998 1943796 1228435 947440 898202 892615 983818 845349 795548 911356 1320959 998831 1558881 972343 1853590 1254968 1464244 1013578 935346 2356136 714684 1372784 1406079 746301 1916688 1577277 1072823 640861 2185995 1172328 972798 574110 882791 1169930 844302 2814951 2066377 1545571 1522264 884274 1228315 2162401 1539467 1460224 1621510 726735 1612802 1174972 924218 2350141 846263 1116110 1201160 1389268
glycine 67997020 78357239 109010245 113277790 83469743 129249883 85028892 75366364 73006337 100026623 85054524 72745683 94344113 117196489 81806892 84137887 96372692 125111429 142323954 104046735 89306192 96215947 125972891 86731631 193161342 82568747 110561995 84485450 77059695 117247555 120421466 152377114 83454169 66685715 93902590 103473218 90994530 64973711 84967000 95347041 95790341 50912288 112711275 77389291 104508383 102583266 199868141 121366186 136486008 62646523 64964132 71383682 98653242 122346951 97590209 100015976 89868339 123622700 85217550 125258395 118728264 113845526 231995307 118723473 137263951 101558450 149321045 147475444 161268319 120826517 106060325 117737180 121197132 114412710 107329356 120043478 72846750 84625210 89212806 98270965 112328905 81690796 110597312 75977735 123217226 93868458 87428747 89026593 107649141 137333110 88281134 174517569 69484851 117637332 107021765 106929558 75276527 118529705 81893261 97520537 65664664 129597515 105024871 62746543 132661191 81781255 66239598 77806019 91899695 101318381 61921813 166294006 97916313 101518874 171392385 116210237 73974506 77119780 137094801 90649014 211132120 215889182 213210083 230000568 136444720 243679065 258831462 31248468 213136986 283070225 199418559 155681255 191216103 313690362 270279604 295334831 152427117 194386832 246914059 157438262 177095071 242135784 220288422 186386713 183967611 178954579 239778053 235083209 198538454 235886955 209077484 95203986 238493822 165517536 204724492 306279287 155259126 126709433 232843634 230636362 195950656 212398293 209868451 238148464 196466990 166079028 229091357 170394950 188188042 225478233 143449950 170813396 274548896 277923575 151990842 153231267 86625074 170341592 282324866 186857379 173378444 162025534 156666355 205433088 117132495 251108323 201385899 188205262 165172484 184009439 126341674 199832544 333103066 218547228 158112831 204390139 191380964 200148166 171350610 158685068 354588033 179080163 222725232 257082331 285749244 201355501 143966974 190030149 255717420 184942677
guanidinoacetate 742363 860875 1359168 1049174 1144454 2515136 905035 1266769 1297807 726387 1182037 1316348 1541308 1068062 1048699 826238 1258218 1774666 1525734 1333267 925620 843784 1199019 658541 1830388 1135602 2092895 2142966 830778 2299683 1181840 2188292 1138186 1752867 2087714 2099967 587563 1280249 1673418 1419958 1207351 3076726 1329275 917159 1433446 789796 3200454 2011483 2318225 584670 1026347 853470 721587 1767933 2264441 1450025 1708484 762045 1119173 1017062 711415 1181623 1456987 2423000 2683592 2166991 2148212 2906663 1553060 1375284 2673466 2895256 1586731 2267321 3024099 3494572 1909305 629168 2131444 1833424 1417971 1824418 2156050 1629989 1276740 1171130 1192911 1025863 1258221 1322954 2351696 2185401 479815 2535215 1231163 910856 1261774 890464 1550239 992281 1337013 1456666 1335945 788887 2609151 1211283 551768 2424776 1833362 1647503 1628334 3652291 1319067 2131581 1782587 1995230 1268896 1076400 959228 1970824 1668534 2138860 1418076 3911673 4643440 4137227 2673808 2105908 3852000 2780517 2119078 4092342 2223501 2473868 3148703 3581060 3506900 2888845 6255394 2774717 3129471 1873950 1834357 3630844 3677735 2827636 4314965 2341836 3870118 4738747 3892046 1365328 2216269 3148630 2369536 1954711 5299834 1952205 3865878 4365788 4443766 2881459 1877770 1785431 2160025 2528180 5849300 2291768 2824785 3274011 3244667 3152239 2461357 3833734 2810852 2128019 4990313 2051252 2514055 2853577 1330269 2045679 1705341 2946705 1539427 3507667 4716967 3506834 7851185 3234478 3094495 1450944 2066517 3245993 2062136 2544832 5644663 1970941 4417099 3251472 2696295 3140989 4705708 3701729 2094447 2153020 1971639 3417136 1820524 2920669
inosine 2372340 949055 17807718 1010298 911720 915303 118249 10042276 10064226 128061 1732335 28573428 3890011 18906082 212332 627424 492772 533836 198664 432463 136684 106498 141313 183313 46822 134047 63832 55264 312966 67087 166302 155978 132247 76206 2536327 7185863 3823147 35789 108411 146364 486524 8886463 15736956 426763 2250203 212144 523993 3587019 290522 53834 252963 8348144 148653 272105 165431 153726 449503 271625 34005 46026 22709735 26331211 38802723 22373752 16410505 133163 162339 45756 129039 3693562 4789338 1319870 23977746 684189 134641 100206 79873 253230 132250 141225 73211 118667 70251 261071 91717 619463 224665 267670 3608525 2176061 611880 392438 152630 888033 380077 373149 14648766 216154 385578 249319 374690 82084 344457 195158 227922 131268 165322 393956 173413 51989 153992 15418376 136314 111058 3311255 106631 187984 154674 211271 216797 126205 84807 115410 2599317 520241 211642 188081 19104408 184110 112505 101031
inosine 5'-monophosphate (IMP) 219994 519938 1529451 2990863 892454 2123255 955302 590620 2639458 2764256 1086552 1052234 1038223 1346231 515725 3788201 1014338 6459120 126563 1232192 333890 463062 172123 122102 332078 338576 468620 665375 859133 1230908 1546118 708360 651614 1036777 157992 701916 1876337 225254 53845 228145 218919 133790 685815 2601216 748061 1655144 3866345 1237719 1148106 2511869 421345 66407 550114 571484 2064737 2527441 2481053 808770 551222 119230 414629 109607 853047 693143 104995 325506 932814 691244 259715 265278 477748 139697 237718 213475 596691 84202 168319 2270834 485873 2168444 87121 183492 337086 306340 5754758 298451 544259 306467 165714 344898 987959 131303 355486 268644 290574 142508 363886 122122 3979887 828584 784603 309387 391555 192197 165965 172618 163589 172790 281575 158770
isoleucine 682555089 396947279 477532257 397574384 453236763 389124228 719272486 646110851 519851271 489170040 579786265 411857025 378161475 479544025 476279196 244177080 614188687 422214222 454030407 611421242 409190076 422540715 464414796 655339862 351998937 324977412 441056567 391927870 435224491 571303306 371948255 392648908 388621434 454082854 391670601 397713487 448274720 318764244 564835292 310842032 602887965 175920499 378475450 486116584 602543177 391624304 391373043 545242230 576169908 615440511 367108988 614998831 477534483 457243666 421568554 389995969 482053815 454306283 677432191 410282504 354223645 463063144 509240953 483095400 412323499 440120066 314559739 390243598 369523642 435631217 426268019 477224367 360331932 463051449 437749678 337905298 486174918 549760009 386423880 401217033 377206897 730903936 423817332 505761812 528001940 468296701 478413795 439815637 464308172 477185064 365262971 784208796 607916893 388096628 628881957 380487999 465064547 436985833 377116160 499235515 516465385 343299615 330712335 636511535 438330211 407615985 754714092 409674444 380969438 453231253 446720180 472249189 434667422 462130718 506044138 413702723 322916420 532299857 235909554 413944263 1430358533 2237987531 1262677029 1435201596 1513077900 1555539629 2234357489 527863957 1923800204 1552638464 1795903021 1742248947 2039022952 1256593677 1965510287 2130089290 1843878378 1597753517 2406599607 1703683087 1822744967 2335882713 1976877780 2448419790 1624213363 2279021951 1972478035 2451270535 2019866831 1498814460 1170124778 1665662359 1489022193 1338063624 806259093 1205644448 1239139968 977261614 1162071244 1683399995 1049932370 1036331471 748249698 1655725354 1150222371 1233309054 1278285804 1506155356 1454191114 1450232959 1402328274 1267272676 1274874017 1706167985 1648336240 1829265766 976781906 1509285818 1213165489 1101464022 1314142973 1282833261 1279128610 1080767407 1423181355 2026837577 1360876764 1323587358 1216838327 1410003597 1127941497 2036329001 1639008979 1235351588 1304538219 1102752748 1396026687 1474284174 1774640573 1585750918 1789481820 1162716262 1680816294 1750099052 1686519224 2153973742 1223680850 1593241827 1536719598 1981696065
2-aminoadipate 1277889 425746 1236035 306523 775563 806700 3674145 1040945 712204 482468 1608626 338319 420324 859474 731421 458073 322478 477459 385812 1001294 477055 942567 513285 1099908 261982 509082 372092 1168177 360782 1293385 476729 554958 864187 776882 664685 851852 396850 469837 598500 464805 1838000 93996 450457 931450 616254 829638 391293 800970 1744942 1792929 356502 1023673 524430 742865 593071 398185 545060 710317 400410 791629 536384 1239167 682492 799923 371777 774791 561199 319136 685908 715037 273486 370728 819148 784034 823997 1424173 753975 715621 571029 257524 765661 2005442 1499295 897676 887274 885268 655369 346490 415808 519540 333809 3433247 1026563 959853 970403 385548 559419 806219 680287 510419 703179 378425 524442 717423 577691 492885 890038 186065 445771 537032 427259 493703 536138 1223145 698466 422042 428401 396930 257662 347908 1177156 1893979 935375 1151171 1007074 974084 992529 560113 966030 1010137 575956 1639011 871687 1141047 1122738 560812 807595 1396542 1198026 637463 1773887 1592794 1563109 723381 2795293 730673 1619628 726227 1173456 838351 1032720 887642 649385 429899 490140 571615 764657 716753 1156095 265729 750980 475430 985924 811973 478869 683562 660164 924169 442480 676843 784674 1180817 734649 1100544 1448537 366706 820534 593348 796420 1069149 946918 728154 644895 1532171 602381 696964 417412 500577 599432 489299 1386894 1245865 970165 639597 470032 448800 974181 1296027 839248 1202406 620074 816406 996004 658372 954171 529652 919703 1194195 1038753
citrulline 102459601 103590808 102577068 136462882 87701753 137371292 100691603 126794372 104873475 70773959 153064530 67479291 73956463 88891996 139131438 91310584 94387792 138370889 164802723 117182646 101039514 128073039 118759581 122091788 113311545 87200144 123746443 119011934 70081958 112962792 80223044 111358875 97875155 76009703 111488347 115418354 36098735 70523080 63692289 87832320 100939467 39742750 96776625 153363046 76999657 146734920 143025752 111716473 203709804 100720999 99491595 155284018 86132197 106398801 110691592 83842171 136892127 145735753 83609213 80696813 102009089 136876437 109106685 118261030 94097674 90144420 163911330 151746137 134346932 110258383 82360450 93690805 89531103 100648543 119293313 105324321 105198829 99696315 124784580 82528074 116812249 144982970 128562096 139681505 93488608 100307359 144002504 131469195 74429804 76674687 93597538 131947619 95188855 148301726 98130639 144413262 77755631 88275258 127317372 93341417 114327856 94088705 104839131 99580543 120840121 68846651 94413366 69959853 86395033 62504518 96308624 169681088 112109228 95333204 137826832 88970333 121309782 85094396 71571201 114487428 218023010 255776941 210910360 184815583 169737321 211184386 230347529 69146631 209618869 270479407 234136742 240392660 269998930 309910455 332862026 320958944 238675599 206597970 267202399 239762232 211880284 326501420 297313112 337649910 289474250 244165179 281955886 350161474 261659554 253555790 251707862 225855310 409116499 183028313 163094355 278006008 197684445 228035275 340964638 325957052 244256308 309280402 168950528 392956454 255088537 326579315 227948783 238130871 306984354 289345612 237543761 252742144 338462477 322758246 177733471 211320861 229957805 209777689 273272579 270407129 435421263 321014533 336119604 231229785 290733264 298424094 292677989 311584937 319119855 319560874 227925829 493734124 390670574 447936061 361589056 212739365 310586644 259978825 281215842 210533644 409383188 252157857 347798557 333645176 503925525 363110424 180121372 272032175 303316319 311516759
leucine 779650909 529953130 495724554 409033599 511126497 407368909 854082193 767169980 501971733 479698639 620657527 418421795 429189434 554724991 516599872 327412025 689780426 426601886 468750024 754653397 532499549 540538485 468286609 772842384 448092373 350627942 520826293 591536058 435047316 709936375 312807128 429586858 536594247 517847739 489190207 386216210 480124086 384836338 524450667 382005210 733947608 155358392 406184321 484919214 621452042 504614906 401798702 555181377 697659054 663054684 404444381 576847677 497865116 490111511 427541539 440918455 564304329 526122123 585153882 437531140 444953442 571638615 554192713 488305109 465658938 530265652 479723455 510283340 519770699 573396381 411316624 616241963 451634865 514029359 520239106 474682534 482460558 477091342 497330390 399447762 426964319 811286554 482066350 524910572 606716189 531572117 508841284 473602943 509155186 545934994 381200104 803481215 674859570 458050220 664380158 384201420 443153928 453709076 433928319 542901343 587667955 437226621 487792045 688800439 604209883 351759746 765335061 337919751 451415171 409176585 505568288 621343831 561546284 529124062 422937677 493338502 260307040 511731593 344612425 483984203 1391319110 2346896397 1298261121 1548170703 1564327710 1626838513 2366257917 457902483 1911502531 1779380294 1673105522 1886897349 2070159734 1200911337 2020239405 2216964920 1672717216 1779759969 2537340436 1785213864 1904250231 2768770598 2184808439 2845596117 1739542956 2576248003 2012821034 2773640656 2093048019 1628848425 1291225845 1850637061 1492281339 1461368015 1067763814 1343283112 1330822864 1128520666 1265176419 1902775956 1257113100 1162040532 813765093 1700545730 1364485320 1502845731 1327491436 1692602633 1531974273 1723810775 1604746117 1358367465 1854985901 1969386220 2146115036 2152635909 822994702 1542350940 1421390634 987248195 1393141321 1505552733 1264789573 1298334785 1569296850 1921883234 1586933209 1564629893 1477838676 1594515336 1240839217 2122456545 1994176214 1274173385 1580520733 1097614732 1683240092 1654388768 2140579291 1720814516 1890210544 1314838158 2082916963 2028233326 1706711534 2212503599 1279427751 1660579405 1623395972 2369904104
lysine 573747576 730213454 773055672 486648366 669723566 497746388 968619536 746864849 590688627 503996371 832439164 495950396 520214314 627490735 530472437 464939206 684034125 626840036 522406553 794205196 508617643 678249361 451796227 528121245 554446906 553103104 746276023 929138091 462957554 769929922 486359717 834071959 605132428 688536488 803947075 750346446 461045151 664908147 621457142 381775145 918573301 290972088 554221550 416812922 722376440 488046303 705469528 607208870 933629870 546953005 695833168 435107798 511697209 790162819 614087808 546774692 542039021 836847019 852565959 659258959 685485069 763122446 578772692 857451229 976733441 807535714 1001927056 777756243 921952182 670943620 756642567 843463787 661567614 661491223 620505136 811807505 607177089 422364172 620183091 534581347 684298331 675057050 788470297 552443849 685357637 656193710 667593649 431630901 615489927 624470327 545206680 1079923657 552421371 706889520 872726528 429837976 521770867 576288580 572234965 553130908 595453261 672904601 803072055 365913411 695385737 594138418 410751552 506822167 598685543 597255230 545479023 853946600 632789024 886115707 656769096 843708127 414618387 267797591 772474111 483283030 858185876 1185030559 867816883 1131560373 991300560 958077313 1538670252 279313581 993297572 1297783528 858843569 1332869474 1011258562 1136849005 1357787330 1075617252 864927835 1320682001 1366592173 1190629523 1329002117 1649081675 1490196474 1717797544 1086253134 1708992272 1514230760 1689812247 1216053302 1415463440 665756488 637053662 841911875 739162373 573566749 672706828 752155514 945412490 841050826 1009871218 829972950 1121911592 626617136 779156641 877265577 812577699 960070219 841640573 1154362488 1008917426 1127222685 1027222733 1573716478 1386209577 980246079 1328732467 547027249 962906143 1000663267 858242634 776659701 707415951 562449892 676066856 940001800 937957088 940369626 907765838 1023061072 696984079 774574693 862271609 1222136172 805408159 908066027 753753201 1082119818 1116727357 1122822246 868735881 1414797251 631131949 1196775920 1312206038 1131147247 930537203 834771294 866272009 1157564895 1206599801
methionine 282495040 259173566 295235148 258536041 255100598 240804608 372776986 350367648 205432827 275061907 259840006 266171483 194736860 333883800 274882982 175594430 343939892 246112255 259045023 285445133 213644342 293646578 245872990 195897912 352127533 224419310 442634055 319904644 196856924 337300604 238783614 329386676 210944670 234238263 284746268 233717262 283591552 238408696 284772051 169152606 309826229 128957386 237896542 218659617 402987717 206691418 317844687 299920336 401388614 216078943 253500903 217022553 271748426 314789062 243341546 206822751 239926454 232078103 427721840 253185401 265526715 266805927 253901346 333204645 386520767 290756930 328219962 374787166 291346735 319286898 326584853 337141298 335830040 316903637 295965831 333680897 298828197 237988924 302037409 213182480 231491461 326847915 326580296 212665407 276050060 254935877 236951396 229613099 215522333 347539762 226065416 425733733 231913534 296561842 354834532 185425155 195494649 155236040 210665357 249134707 226606985 349070814 277673142 144998190 307196888 243105024 264055400 306150835 210695307 263243977 282636084 407567522 293131235 347197814 295139460 296076000 155548844 124647726 281610268 296401312 301200293 763265309 321584287 424089064 299907207 388676376 615933227 128654737 383200451 474187654 396695792 550593442 631424414 397369947 510209078 437074360 295670679 507930043 850038278 445068097 558676413 933844600 545622936 870590910 441579931 638987839 786054679 757584847 603580692 631924467 336024699 343157663 456290473 306826288 298240662 459263413 337982482 352036738 324465462 413768320 422579208 380469560 354835238 525060058 444716323 309024397 492630706 492063727 389864110 562144156 490920489 532003289 463269500 710720616 513607489 617780705 318641941 456092827 539687752 474602116 319505911 322809048 301306190 327682288 311326346 593251099 397737022 349978785 442617098 437634957 280305431 482193625 526868351 359536163 389706003 298122905 519708272 504233866 469054684 444591434 811374513 413169667 583243304 648245487 649164781 756906796 359209984 580351050 618117027 783133936
nicotinamide 7156390 5187756 8126108 12784925 9801512 15898457 9283763 6848305 13086867 8859584 7374321 9721098 9601809 6584069 4355848 1865403 14737917 16117612 11946365 14272262 1210594 2268089 1511580 5260882 2057388 4866074 1789144 3364831 2744325 2544644 6398594 2751411 3071633 2202738 1635212 1997514 1911838 1649944 1595616 1597788 5444993 3893082 3483136 6723202 3718648 3866175 4090541 3766902 7192705 7459532 6754719 10574570 7623833 7984230 8993679 8158726 8271136 10789723 11343762 4606873 3758851 2809611 1261968 3684591 13236048 2549672 2993094 2581666 2539919 2071647 2046925 1835072 12375570 1372558 1815900 4864666 1853477 1481736 2970261 1999745 5101726 7600365 10437198 6446841 6550848 10340236 21616586 9199301 10472958 6171053 7308063 4400347 3286373 7404411 6612394 9958354 18388790 12822964 7530851 13401029 3059410 3136862 3236641 2763023 1733763 1943937 1586550 2372668 1699217 3350655 3000292 2897344 3336942 2479882 2545088 2102198 1121182 2471845 3733453 1719360 5989636 806882 3217801 5036086 6839705 10707190 3283621 1120882 9282121 6543448 2203203 4273746 13671987 2371819 9900541 5935510 4893507 2740356 3007540 3672922 4668614 3045658 1689487 4015386 20251108 2342761 4705533 4718628 3162938 4158741 4639320 1074711 6423519 27186494 2854532 3550544 5551923 16074746 838096 3000774 2454611 2525254 4578857 6222262 3424294 6921385 15390683 2853328 3074877 3890598 2128742 4090097 3541732 1139331 4325807 1733881 726644 1492499 4679937 4467983 7633951 1870256 11642638 2381237 7416340 5160593 5820649 3570313 3621573 5722340 1707281 31017093 16271523 3916852 8309836 4727893 3363799 3407127 2596759 2267365 2151295 1989535 3657949 1821915 2107628 2572691 1703758 2903636 4007011 2224146
ornithine 154749334 147789121 132622206 145966259 182953709 166029471 348100167 205564957 158697079 130550745 193924665 84833544 139843208 190623339 153385526 107766755 274333575 192748424 115383372 265736399 61385684 104367277 86638396 95411823 98104525 70038946 107539869 136951316 97894755 118408972 65080195 169020882 122400781 81719057 87058554 111356011 54850139 66158502 73513653 85258028 199605878 62151009 114089195 112556846 163335950 135790558 181910625 169569368 480813935 193803888 84562326 113840089 129913130 133892253 139859651 151945299 190516674 298648893 181778399 147717076 110141009 114050746 122836840 139513815 99731863 103333035 141729629 163741153 193116751 114047308 120258675 138685677 106747138 85908973 103081989 153026403 112040451 98988524 99853990 105231137 94002087 197476433 130203110 196121627 122915435 194353157 283875693 184550755 214115539 185069428 147131559 361928283 193209896 140473946 353038484 121163086 138281035 193873253 130030819 152542563 86552690 91514521 108477731 69224501 111510072 93789588 69155037 64880399 72728552 74455152 84324031 132391779 105912552 145136679 123983435 90701331 120555334 85465445 77389711 125609515 591995212 943189016 538319590 653811121 594356064 692204675 699783161 117535013 1065033356 813502339 1031419118 654702144 803057315 827092458 240256205 1390193209 213528196 609318397 685197533 335294045 521969164 423312641 658085845 511776770 340690157 493388750 575774124 357918950 514625302 304499690 284820165 308474352 486934179 541212234 345501679 436043638 469159701 251181775 557298111 714866498 467114470 542731438 325551258 665607284 436696826 438889800 552298319 272408193 115806988 262753252 342950639 306150590 109580037 330097714 413386365 411133250 190335875 366522604 339737939 349539367 461379815 425788288 315335492 446983776 493591516 661585981 466662569 664792202 383467533 396940950 339928742 311207074 337880027 453753490 688976471 336919692 572624925 389584169 388553613 400614609 314594446 342927536 371700318 387725342 285483440 586751331 303873621 392186128 257809774 450535403
phenylalanine 895950527 650881517 565078777 715688787 567365241 612679339 864338102 919076950 566649147 736714966 697891795 812627600 574353362 663967668 788147831 432440459 833292871 713616091 671667507 814657230 585679386 538050740 550717761 492095543 648185455 378116198 657155720 868705274 391462924 729046854 480177716 577096990 595273612 553288259 560233992 419820564 833308584 434606297 511772069 409484162 768587134 353661585 538346308 543118400 1083048557 556069779 622892181 709105850 766552514 848052134 529954009 897043723 789674488 595939506 559068297 591108549 791410902 743733668 1094794661 664361855 492606949 569212731 559325801 608175215 500186057 566947323 719490525 590171339 587402264 675869390 459669414 756675046 523547531 629861528 628495629 637743516 615342950 494102644 578326487 504828857 488855382 899744095 687862823 664461403 687160066 793063429 790733110 771094651 656330355 682408237 487277633 1334656987 902860346 563330139 972625733 436267671 658093043 578650735 598541205 675981615 585183836 483179300 489229059 492130252 635332532 531814341 602196523 548930091 436146778 443575580 514119087 783618477 578713829 615989379 399480003 598029565 353368436 436300348 401063925 502177111 1122614146 1635539831 1107685783 1444863458 1300405383 1439580387 1773469935 480325244 1936628555 1420042010 1896750049 1252110906 1724741716 1257964959 1696728669 1553520063 1333393012 1179641741 1923490713 1521947077 1536080522 2136607630 1614404417 2177473346 1298663870 1866674130 1429213924 1839372071 1484128693 1283474579 1204064604 1139368268 1190654022 1096526137 1039686740 1082128121 1039651523 964098476 1012859402 1147545183 992245943 1031740407 1325058566 1371198759 1111852725 1205871260 1000559966 1278764432 1300512021 1275975492 1254081013 1318343745 1340994052 1397328917 1436560983 1588421811 707390452 1233517097 1202814520 1323309892 1219392285 1196096410 989156287 1089459270 1222439712 1156403078 1186082726 1307804653 1097694371 1197034943 1026735977 1943023244 1490931396 1212190036 1113616719 1095970124 1402480697 1364700990 1329745032 1332054774 1675255093 1417614413 1483100082 1574836811 1497016709 1761917129 970820320 1418581114 1406908499 1502664326
phosphate 178927620 211970814 130091759 220807857 170557019 239502377 242995909 178512054 197330813 232389544 209486127 162468387 182262710 197167447 205646762 204711457 188766333 218799908 35957321 221449331 235536227 251162772 249554542 277653664 217696423 227580938 208395015 246273503 228342887 300110096 193237116 231375563 214391162 193149886 228881911 209447339 176954240 138999891 251005527 219645910 233664205 142546656 218879219 202769554 138070645 241596529 196531718 157022960 196817503 219321067 180063016 235019686 230747096 130822598 184208797 182801518 228297151 258319834 187460720 203517096 277695134 244447119 200632536 186175640 216411117 212773417 189570384 176248859 222460133 215926092 174294538 223690192 224328831 241275512 227219749 191589716 204425048 246230076 204887396 216429322 214224228 175462174 173449548 229117000 226353923 225403726 229063916 224030454 211574617 197753154 136884942 230146621 213754567 219586577 209801744 233679335 171763608 193505880 198644942 219463266 232905728 242647793 183966405 260118368 214145374 217081575 282655375 223498799 239917030 216942110 201563851 179459402 211716247 203614592 252923232 202210962 269294867 219798865 127726769 210293880 644314526 732983174 690867281 579611529 592874454 609151584 625772729 1392974649 672397469 553048056 725805356 540866134 654887334 703328381 688337899 714515154 612488717 429084186 539019693 586835140 610524953 618720859 748224276 574489339 620627887 619543550 601907193 952106262 709900337 522390806 540176156 541183825 576825173 501887647 506807071 592252351 533841638 453790115 379425664 551989762 442182499 505655075 529823994 593141955 626164062 499086693 587771166 511385862 539991631 497540068 446704779 492348391 636166287 449981412 465299442 487341873 354571294 550594797 607030416 447012322 646916244 633443152 551899045 519599650 618870255 580120796 567376783 616427687 415829707 488640148 385491227 661647191 603476804 618425989 616808439 474591911 480522928 519735174 430447871 624861078 486569140 573582915 424086762 520403677 681777247 451820435 538094868 504990814 616899596 477761930
proline 1743927656 1316573292 1148954881 1608214079 1141438564 4601071935 2027598778 2583057170 1189349040 1073351725 1604093877 1182073683 972106878 1522245226 1491021297 845843199 1743856376 1426347695 883221297 1404638344 689939058 800102829 1061932489 846778969 1639337848 730040806 932027939 1068681951 828383631 1536503395 977623217 1145477421 840014483 946107210 955648708 1124874662 773946214 658816048 1367405362 992181335 2252569349 819456312 991057291 908258957 1819900245 1256156270 1756193629 1523897628 1908663327 1327132314 1012199783 1041774829 1070356122 1203863223 1060314954 1090574257 1220916940 1453813882 1508820552 1229110130 1006675239 921342355 883332246 1473809008 1373013502 923893847 1256281738 1175885415 867429023 926736435 1064747478 1061986479 1214247075 1361555624 918416908 1071709108 1274809941 766153260 1127738375 835119884 1005571613 2109285307 1724883778 1286513643 1604240222 1259790911 1301581043 963564237 1112116592 1460998746 1222226225 1519810150 1384984166 1181704031 1604078141 881137865 887408990 1753593060 902349714 1599659358 956546751 884424727 954957979 744846513 1619809176 722508657 967437088 754796108 772829654 896163760 795989156 1510709409 1009710269 927712162 1439048740 949925940 660734317 582351471 1072252896 1069371746 2165465550 3284614431 2296829724 2152142958 3398652222 2543422011 3678207310 687682930 3350006493 3528786687 2740146705 2613017006 3942660335 3907514992 4065132145 3125364423 3130322164 2930960387 4474953601 2829036786 3661250450 4615330457 3251781909 4108510671 2549900976 3640607200 2862944832 4139701650 3120778330 3278299268 2728653422 3059234935 2484522359 3248555659 2401515340 3349820182 2463214365 2301588944 3276999024 2887747478 2622400319 2916324229 2714091019 4075294056 3896840718 2059434375 2775819356 2492672711 2800041861 3410334383 3492394453 2859612092 2957024155 3440538923 3652984458 3447733410 1880514188 3244588728 3383319043 2961395147 3057522808 2604415193 2050963752 2189083361 3979326591 3771534801 3132417315 2840015703 3067399705 2343657403 2084574370 3107847409 4211032041 2541084360 2323330770 2012140926 2467130564 4005023924 2544423526 3729510608 3800567966 4209141050 3465552046 3834402604 2686689022 4771342970 2505894176 3263764543 3517595769 5718321701
pyridoxal 764542 952981 709882 687931 711165 881528 817137 580469 695287 761610 783219 849903 736508 917893 1048493 847900 560396 665980 764818 684713 802623 847454 1107571 1193254 794363 793196 856982 738850 748387 760130 717314 815412 804112 678085 674138 860176 787933 675408 674243 782580 906432 712642 809995 707878 1179596 1636049 779486 710575 818252 890129 972650 803260 826776 918711 794849 665308 632191 696827 776328 1275288 757887 781306 852195 781581 792518 657179 643663 803577 898332 762337 777758 788132 793861 790721 908964 774594 697703 636801 646830 963392 848326 722817 751821 856652 744209 710091 788886 634729 1075034 779204 731824 710077 818794 805880 955803 666079 675500 736739 719213 1932027 722998 804604 793937 723233 1001868 831106 537193 852984 923791 823129 816243 750633 710337 926979 655223 628961 936160 686632 820531 ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND
serine 91169839 115399119 177024205 140802014 162576597 167123126 195858981 137960708 112830214 167458878 113819784 103493902 132492749 146755000 119696817 117406914 131556639 129645245 155537053 167043052 121571095 189424272 111374763 117823798 198653903 134351348 208146060 136488442 135739908 169342867 119516449 182872218 148219073 122313956 125435143 171078300 128176259 93423023 166319257 110669472 155565040 57641560 134283997 143699013 185792172 164493662 197311134 183200441 175974182 72241343 105546662 141934315 158315363 178943430 118456026 143365818 152513322 210102901 164876348 143945902 168327328 185455795 173496222 175095712 175650400 115121676 153773704 201707456 233739552 133084599 179276012 111172128 170714886 146957943 168371292 149592902 110949501 125023008 129864823 119074000 144712591 157339435 146744588 140614751 154570048 111432791 128672228 139102211 133558351 149992174 87542062 219713213 71399508 166061708 146263063 122129484 90708590 140500603 115376973 104677350 91209370 186452171 168375643 77306132 151562712 127063079 99084101 121617792 134132223 148344542 148720300 167339791 133962184 185034392 173331941 113205321 87534099 77908282 149891806 134335934 473542983 576947579 388675447 423408363 319110878 397826157 446514201 10638157 286922920 381431199 346586096 316203760 505121402 515097162 385900137 437062496 276108069 346049817 515782129 326814453 338193274 486991062 409048899 391156923 383002439 381121705 466543896 489726524 383751039 393471959 360558269 265501081 421650551 264051036 324095639 420511104 313508574 272108551 324953651 387747399 320956670 309551275 395377131 371743963 398975728 333225679 408277013 348614999 268239268 466675617 278210524 383111114 369880432 396003458 384247610 389367024 214732420 411090440 432975807 361371854 360965444 345867340 325067376 347731266 208299161 430430665 292225737 393485873 383236279 411254865 279883377 503090793 501033210 305485176 369710123 323440776 395600071 439289343 451139684 257942286 660516221 389068440 413667936 535755083 587387651 473044887 302857622 445136751 511005140 414955266
serotonin 633323 4948016 10820826 17575940 16701851 18178712 5099730 7528242 643665 10999234 3171901 8097852 14482950 6560160 5433426 389722 14476967 5375166 24490999 58722 185609 188556 419698 112142 139639 67595 1006854 6543911 6844779 4427842 13996781 4295357 1386461 3193432 3922786 6903644 317706 6449878 18137435 11883386 9617056 6597021 12033764 994841 529391 13428112 3804712 175934 209651 286695 384861 132590 295536 85425 218240 63530 5587097 557554 11371458 989466 6726935 8759640 13375285 5399360 3225165 5412217 5903148 2564954 266652 7207526 13467691 12145342 10787494 2863033 6685892 3880950 191335 207231 236078 85296 66293 314648 485733 2333896 487160 222104 4642317 2946694 807219 111248 377050 128655 2059908 18550694 296008 7862884 1033096 778363 1332392 336196 5477388 225131 2218412 1158615 443364 12576029 1182498 3189507 3345331 1325108 993665 2443241 569477 934910 7653234 636759 466608 1613648 8983101 274626 228255 309201 460722 666538 592002 812595 1495536 15123494 239415 1610485 1612361 661784 1941148 286052 1773778 890736 354226 602967 4672463 379998 17921237 544510 1916573 654987 267019 1020244 2916582 316202 43344758 16772760 333615 1223962 1020626 887706 561100 598988 1123157 565774 503458 876955 156311 2688840 620318 664882 2998697 2403952 687019
taurine 72073014 105406643 154418811 247153184 188053711 270551195 129042960 144396992 194999222 176823016 155545442 161678165 174436871 140226059 99796088 49029526 266201208 154879175 104843782 239101877 29735880 28449616 41754063 55222255 20465891 32081097 31278178 34176417 14401325 49254931 11711103 45440467 27670274 27733087 27461227 32916895 17963676 27198916 33163321 26798672 102966492 103293747 90194291 117407313 100458180 78108821 93137409 98080289 129899712 97548399 134534673 199895120 178121273 154268563 161281960 160089541 79052035 101107417 194867896 115860166 27206895 43126994 43073616 27833373 65855753 34396930 46087385 32828015 27040635 38083190 33805876 54207179 70611279 30169563 36456938 38284846 37533591 6581502 43002369 23194618 88987601 104303155 156215593 63200717 115701692 160774939 279369099 153033571 149494543 123916258 112419473 110505626 77446860 134342686 144315456 180398869 249785058 135156059 114551259 116417120 40777494 26956589 30635703 35329874 38835154 7973854 50451285 7261066 38872012 31501525 30851366 38559892 26332140 34449529 32994070 30225526 3473376 22069576 31221493 28636763 120968310 53075324 54773321 69972705 104281796 123625507 73190767 8509980 79851856 67972804 41084791 88808841 189651496 52835966 156059497 110165687 80391444 60299686 57223087 54115197 49790517 84713729 65725407 62466378 97133789 47918967 90612550 95365859 86908194 60962825 70401044 52935983 94562278 171886762 76887361 81594075 87355970 213322015 33015654 101249525 77989881 68075625 59058119 90652684 69288643 57127096 258202248 45224021 88109135 78419910 31209858 51431464 81841933 71864475 64430085 57794910 55490628 70805049 50579554 102892051 76795246 83331676 175585119 49555858 116146723 119108730 78515365 73687197 84384027 82694312 70315367 361173782 201648939 75573830 134053056 77672927 116563574 82590438 58725142 67950525 72521133 38046047 67210954 51528507 100078039 90589982 47869744 84925008 92050798 78072059
urea 254146308 184553323 137180393 230408936 127966216 177757184 228677984 303440313 264875002 221556788 284599903 208328952 166728396 250711836 264115529 201373590 107822561 227859706 205506624 203208311 166937618 85145887 182041885 265549060 74130936 92580902 52466713 66168717 34382130 111736303 85550254 98656280 100325394 97800697 90207393 103617238 51867397 60969463 20544683 91255388 221499154 67886099 113433776 255481546 217968388 178645326 192290625 232755778 205199853 291314925 109660697 171064092 222317449 141934642 111729164 187771688 238448713 124675235 131698876 104423172 108956414 111525775 152448288 100861565 65613712 72554796 99194570 93055776 101673991 146019194 31895934 146085429 85877907 76648851 88551450 89581894 126475666 63490666 87704351 160537742 108619642 179595999 153184967 223340816 147376183 141991469 139072632 221504488 114884255 265514691 171576028 248242645 310808097 220014981 213931219 130808846 126600029 215295034 228422157 229442614 141468659 85457208 85665746 274154302 152444755 62872472 238341504 29415897 84225997 48274621 101042979 125221303 148248773 87837884 63800030 89736428 146620971 169675325 74087864 90331233 734788173 517995978 372459486 455329837 431113010 540959175 430985815 110423402 665688259 590688507 736195999 336666653 799191227 443089311 405993460 403271631 853419878 707897263 356693407 473701297 410364648 800310873 772543335 587162902 409893943 498926343 221514906 829952478 463328447 312098413 223335979 412932185 233542262 366125008 241564806 234112718 261980646 180096199 150351125 270009830 182285421 141393326 270910058 408448118 361799210 271585910 122486788 238726025 199164687 167140134 244441039 245788993 723449234 303237995 253183846 295735137 65815055 240499435 222342548 233801310 513085690 243614550 430322218 267659817 234150581 222766357 457193759 144354064 501884801 262419574 209431359 396708280 341638811 319678846 164631244 263545476 385753645 228971958 228903949 202000904 304006768 235985737 459853613 332710434 329874002 201529443 127126576 172817841 396395322 307834858
trans-urocanate 1532755 1117564 941438 2800869 351521 2399690 1832414 2172292 766851 4556549 1424451 896995 1145222 727485 1488129 1914893 1797148 1335451 1243089 1847151 2743151 1917588 4895752 3015093 1300945 5629576 1247061 1742729 628415 2942551 1953416 4510574 1699195 1057732 2092181 2873884 875562 5860360 1142033 1589303 942752 817292 1930689 703039 1042603 1956969 774302 2236507 1636466 1026981 1737759 2132378 2477285 880443 4275895 1287334 1745977 1208111 1076259 3020907 3798077 1260899 3492377 1684930 3495091 3436520 1691467 2971350 4234158 2303114 1592476 2023375 2089088 4811388 2492601 6166144 3170051 950656 3459462 2250205 2685154 971124 1691457 1581528 2917847 2347098 1257016 2591156 782446 1361770 1325830 935704 723202 2289006 731483 2039394 1912921 3234765 1206607 2184794 1000445 2908939 1244389 1541723 2022265 2549214 864701 2594185 1610428 8138765 2163068 1696594 1990947 2977625 7526907 1374675 1250892 3764526 2488848 1868610 5577367 3372414 7095209 8833283 7942016 5535779 1091930 1111952 3006046 3340878 373001 1043280 2033027 5051750 5277425 3310036 2387939 3343261 8095871 10847481 6635134 8428172 2800210 5241642 25089856 10824665 4838923 4919799 15664813 8189021 1357840 11797885 5854072 5872479 4099345 4991524 8591326 8451943 3570443 3771775 5637329 2703712 5470630 6082722 5731367 10498651 9991568 5097003 15059332 6781872 7566175 6428078 1977286 5530984 14772102 2301475 1263071 2857252 9661947 3796646 5824083 5240074 1980937 3989866 3344555 5007340 6696540 6379944 2427214 1845333 3375745 6720605 10826032 5570620 1468938 18872199 5022928 10397738 2663850 2759894 4510167 8540208 4929308 21873716 1741576 2347678 1868446 3544802 6197862 13275967
glutamate 340580908 392236553 271104315 506340471 257991860 460197166 542492408 318245904 411372381 463708447 620598302 362573941 304810850 319150366 283096632 298602893 577075132 278472369 720756313 572173478 86147432 252676576 75414556 141846577 123634753 150082951 162353168 401088005 310173320 148142306 129582432 148501189 259008496 272009143 187155499 262351108 155931530 72860010 195585427 81145191 257340165 176622185 245549545 275913528 230519919 277971544 184298212 183977166 317395613 398937297 385064895 436989367 467862185 258884615 358371213 300841103 389786914 522095757 438263580 425320197 206399513 262747604 69771949 198960210 188306517 260760667 325026100 130203091 158368270 245900733 265281348 150589287 233330124 74593868 159677820 187215470 202720980 305480017 213846787 169963562 198096266 560508431 480594320 402726475 379557754 389215397 534702614 321718390 605621486 223949712 219368138 360801161 389395257 420113393 361216762 579161024 483388783 471372789 219277983 353345991 338425980 74188756 190076925 140338193 242378668 203905505 112374615 98743902 170914095 68380038 77138973 89063368 272922814 259915574 188556004 255470429 238236752 96761137 236476185 204579976 511642164 360531193 445391078 277157818 327063083 390149340 480695506 50084823 273005724 224393590 296188113 301667993 934189032 209521718 566454870 326905298 463210058 311042533 472089903 359653957 435772357 408374629 360247724 623741041 248669264 738203764 458019881 658348285 408504289 172091450 530161662 236911501 416914523 975992942 253467072 496562229 256577813 994855521 187019742 266657147 219333362 156484362 389352081 260417975 253337766 247037219 500624244 313382837 409500982 190947523 314240819 483590331 219241733 246644523 285600232 779143776 263038561 314466484 166737185 226155411 525574940 468423624 523028520 193254596 661292670 314951309 210985025 259610218 155082454 278955701 238810371 954913976 876190313 394038562 582623799 345610171 325728954 415394225 485307825 406247559 465499734 225062504 446762381 322788554 465388848 728983475 326516096 430395052 308718274 381182511
glutamine 1753823841 1861010040 2518388174 2165468687 1972595619 2218799469 2315301227 2165041986 1745273660 1952662828 2136175874 1315977454 2223489441 2390071511 2135653701 1744608196 2476947020 2017072355 1677053527 2572113251 2153024421 2476514290 2146058417 2377041196 3008020792 1875892404 2420060463 2353655540 1994151221 2830113882 1958875914 2282016528 2432678523 2165783792 2280635166 2388842441 1956477787 1821920162 2003320225 2014813995 2163855401 1029081767 1879557088 1793711923 2170604992 2281626409 2543594382 2227395375 2446299162 1423814918 1909461176 1972610282 2088673434 2462169948 2544668657 2289600371 1916003615 2100988494 2199517426 2088885210 2293550019 2509371402 2412331279 3140841527 2906583784 2563209017 2733537076 3049705069 2463129030 2331892640 2721875042 2736482310 2409388984 2400624470 2663189434 2736658154 2571668087 2699724663 1998236345 2254338089 2147656103 1807521730 2440821447 1945135415 2044467732 2636295881 2213470100 2190270534 1682962924 2550482070 1516806627 2434742402 1397687035 2218540352 2145500436 2183459196 1559773293 1631485600 2055334110 1644441879 2208127710 2270092120 2107221830 2181452052 2599366046 1734435962 2283242011 2201257903 2159436184 2026912736 2599610147 2976300130 2419680383 2240722413 2307198959 2252697290 1593274318 1826510677 1824746378 2321380193 2531878138 2617988003 1899050509 2895871688 1615505186 2426059596 2754728392 63390822 2630764914 2614845755 1996040532 2402888131 2404583613 2606838145 2618133743 2553688774 1802473236 2572003167 3021348599 2016352587 2581628216 3437542020 2535353013 2525700810 2103832353 2505185217 3270343677 3270621533 2430419966 2775139111 2011644164 2046740938 2200324146 1326323523 2052530163 3085869644 2141949256 1833190720 2212420751 2741193602 2661827944 2622221984 2221950896 2444317151 2583338718 2116616608 3049598279 2417340813 2149152715 2676003585 2417348556 1885634954 2937633520 2918379404 2375568841 2536638688 1375772053 2501753079 3069601601 2255196699 2415271389 1951500988 1724260371 2519051201 1619263668 3047345828 2767852970 2733714221 2558095201 2496823543 2455637345 3018300802 2709872545 2408667015 2451653977 2078559596 2879019928 2744370127 2778223049 2245816182 3263715138 2568508166 3023808266 2610881764 2784323173 2975193540 1738544543 1988948712 2554799847 2665141146
threonine 242878773 334817960 549278671 296577009 336536115 329150717 484933801 371452570 351230028 255727858 536507825 244236538 226740278 364083661 353926242 183132650 362175513 333220893 247208018 414342146 217488918 405789367 172124503 221708256 419230541 272432948 382698198 341975927 245304228 458984874 252286473 458536591 260977411 413524659 353398175 425001411 268876834 348065220 333202603 193376935 319715677 152413408 283888327 264717695 350652664 268488797 553676220 395322233 500963839 219506588 407037750 225814801 260977846 538021045 298738309 242128575 277880268 357232096 646797560 335582078 269882363 314287171 232339560 396960664 534378103 357646138 457623207 429283035 373533602 373917938 301853545 365118175 434971290 384536383 456095410 452564266 242858921 270528665 460223742 212833931 349938964 445998093 609723509 281246746 342077871 499809002 322216181 293371599 320720705 360670823 274904176 531162384 202123063 415252469 402304829 189633115 326817811 277208340 258221007 243364313 214053094 299966399 303143941 206177714 351012826 175680934 257405665 237216884 216367800 289159530 561899688 513932887 286051515 371315260 316101020 354633998 146851633 108077131 373260314 335273659 377134139 867034042 413286647 565912237 457466046 693408237 826095031 65101210 474080132 703875377 712561337 879571925 714026344 649545923 855950562 682019060 408676426 646562191 1057684678 525342197 707578512 1177149121 644230509 765180056 430262306 773821255 1228809231 927505687 759665153 702681731 431844899 333186482 549616532 355989837 393805300 551925334 541500569 708535051 553284282 845362337 578232912 951906697 298816247 673988850 587766259 451060658 709672057 650989956 456365784 723903021 637605172 888689940 745935144 726760041 656855777 694291799 399353543 587595549 1043338056 651545430 510547968 457845056 403141032 506672978 354728226 770569061 610369617 486677476 450641105 575096935 526648723 486920911 734561442 543833219 553479111 409714626 613241184 935001107 706565513 586147206 1527539160 525087151 832215500 763416339 751606536 1002327915 507704900 622729789 854025303 958404903
tryptophan 405277748 200401009 501034183 227977401 365299839 419777094 519647567 346494060 234257764 421455804 502025794 287322024 437851883 219442358 408870037 224881955 563291867 567919590 317585103 529973861 321566308 389660486 199174079 266495693 316449847 175958879 359153868 533538979 189068511 562977447 277405538 452557234 317511582 368665376 413226706 309233510 158290441 253697017 233348587 201331006 437873651 176367469 355795036 454415195 340966802 351823055 164069627 618946798 648641516 310663380 384746084 384352442 433610395 504511880 274020524 431913640 525991155 452784898 703871076 322087794 331512361 467733050 269264799 369510747 224058917 374231239 477634112 305596147 347807980 370007962 262533561 427835857 492574462 348306135 383377177 517225802 423183862 64314278 412773288 157254371 231910592 322644780 433627964 567903914 508206895 414725505 498649859 518547660 428150017 237341920 183009651 542795635 291161438 227008264 340186602 266334048 368506363 179272090 456402724 330279268 336121292 288603478 230444650 311423475 396876360 162884851 271432874 140256735 268182909 286582142 287185747 641435497 308244473 570060058 290221431 451503530 67542765 142900229 263591193 368998691 528695906 891427477 687815687 709468746 437261099 772467538 1015189617 155264573 268534940 890218435 409130651 707951650 682962048 803719877 888209364 964139657 500518230 463383342 970905621 866026778 763218038 1062265651 961899400 1032036813 732759738 1165299135 878614506 970461114 937061301 898443118 637838355 566117019 721927724 379967399 213947435 463908174 496092782 510993658 574115695 574438222 520652375 448768852 441885700 571639810 302779884 544189225 531930095 582241126 604635633 638370173 581586694 658383587 789015206 700989003 615873449 824118223 307025311 569261262 646065613 549584799 429538575 649032071 534172961 549820718 579105371 679379439 553268563 657235377 652251944 594578665 383173807 590661194 786100213 738614968 614984853 689293864 730704471 617927285 617711121 756043370 789642139 509340591 753472136 736439282 807069099 794731844 379848247 585189087 816766290 702175607
valine 1924128833 1207257315 1178218606 920778613 953214706 859117779 1883740562 1284751796 1051961826 984464738 1610547320 875284181 956210147 1009662385 1278294539 873974881 1212261738 1028499347 922593001 1696260434 1148952192 1094538795 940915756 1425610276 823987140 779662585 1067777836 1321631631 684471949 1362010017 606602945 989911664 1028492920 938310513 981923849 656359866 887005057 749487661 901606206 767933425 1314389401 373407572 989291743 1148189372 1479154783 990185434 985338161 1103402061 1346297480 1625514251 896538073 1111135959 1013793677 1175421270 939722962 1034744301 1295363629 1099575628 1406569758 987986113 981420217 1077686274 1059352667 862132466 888387401 1058139179 1122619993 1035769499 989034723 1213633466 858655746 958194721 964193866 969482704 1021032474 860221169 910956130 754474020 996547554 776542847 954668844 1549859976 1069552848 1182790753 1261476802 1162155474 998146603 1010112103 1047009823 1046794668 762916286 1639137794 1660358109 969845153 1415561799 838844099 960799329 916116713 987350173 1174413974 1370837787 934521810 919382891 1307520678 1256007852 684925292 1610049790 632289154 985765529 756266621 940083059 1398759265 1281122223 1170828053 883486066 1168859123 606646962 893793025 784797493 1040350058 2087935314 3614481079 1921851282 2134255863 2142044369 2144708490 3504913943 592809987 2674538897 2886233157 2931397386 2815894345 3816500131 1930303791 3024859930 3158874102 1768719104 2931240757 3821041792 2915575815 3082249591 4541605933 3295944437 4665870206 2598540535 3806227747 3252995362 4710428800 3086559679 2289551834 1738272048 2625494241 2322013134 1789011862 1262897082 1712344388 1586974790 1535005706 1871385853 2585161423 1770933584 1872164765 1131041558 2583456599 1841391285 2125864828 1969213933 2473555804 2231876680 1981615479 2481382715 2142253133 2640341792 2765679476 2769647052 3104805916 1082630848 2283939504 1843538321 1736597912 2810927733 2111405713 1934969408 1372423881 2724360817 2362388584 2430299717 2095682921 1902959416 2229565829 1553730643 3230234710 3274546074 2002367614 2282229197 1640021541 2370417044 2334421898 2581196273 2708865247 2971504910 1591963681 2554804679 3153518016 2727458115 3020921286 1622519303 2568298780 2671690452 3025128894
betaine 611640349 462046062 420810194 802024815 519873858 594302957 561803413 770241285 511554810 617697521 429357282 556979242 527411349 380143934 605315901 560009645 496658624 509657705 614198572 586517620 535517963 445239430 416644508 693018081 511273793 438272691 482476451 467675815 662372511 568531313 644719602 432977346 412096795 254276516 349543442 310466037 440534007 173565341 643113742 538819881 497440321 430496961 509457374 408870991 717607029 646124809 503817212 648943270 706660587 642089129 273042892 588934593 646069882 448500964 564545846 567909421 722535372 573990224 274596045 543283311 397857618 654994401 511331721 799311832 538496503 368366177 527484038 421075523 565438743 360142919 738236679 471269562 546032423 587813558 600848606 574871406 697863645 427344169 297501984 447771809 641754987 433426270 306192348 713879322 560376414 752052034 768977635 726718718 614637468 395514769 504317415 391362800 616674913 650636563 970530625 632088213 552841050 685532813 449020540 748984716 645703986 676646619 422310172 494432835 356457718 781362083 623219954 1031375205 548116055 685341857 324957973 581029084 361286323 347819776 538233853 339967873 442437063 472557596 259581499 764642941 1559608661 1493936963 1121774993 1313250190 1294793964 1048533371 1451650779 384754946 1604310243 1484175587 1963504249 891736500 1351949603 1918815130 1507337720 1580734412 1807543456 1840472661 1463730422 1039445437 1064459672 2134401841 1763449122 1527865268 1203791272 1829922071 1870757795 1827981874 1474892346 1254305457 1406553576 957489054 1407770871 1646382854 1023734228 1338645443 1473931503 879196047 1253894008 1203184537 1100324667 829038505 2348492114 1313108580 1222736194 1457499520 1523519489 1237699632 1094596457 1102232742 912346477 1190908502 1739061815 1766283070 1553131816 1724429440 1242778131 2093405899 1407215801 1546455133 1403553144 1169575816 1024286904 1467703321 1517822736 1586630182 1352062930 1425298267 1757385219 1263633563 751688581 1890840819 1641167713 1461651578 1027055763 1317559151 1518439401 1416369106 1507678667 1193704677 1881434724 1618998829 1676037539 1498363187 2014459913 2061457638 1388598202 1255790329 1557754227 1512472672
cysteine 3816232 4041775 3771595 4258358 3243659 4030818 2068612 4456600 4265785 3356357 3213756 2359244 2796829 4086905 4031315 3266530 4934545 2910587 2575261 3578277 3888961 3713317 6365715 5279023 4922158 4299096 4233936 4269835 3280151 5498787 5095663 4819001 4158826 2476239 4801881 4521875 1774780 4839923 2040169 3320073 4918455 2750476 2976055 4356060 5573362 3688637 5164170 4103776 3529284 4469994 2897983 4495677 4032007 5494689 4526793 3240641 2732178 4853699 3122099 4616466 6257944 4333401 3897637 5665656 3881689 6860685 4955445 2713311 5683035 4328333 3309313 4376195 6186506 4132219 3793232 5755750 4097363 2053645 3112618 2042916 3732140 5224022 3777827 2660983 3236892 2716111 3142692 2616041 2264020 3634402 2017244 4967472 2801937 4607613 4649042 4418912 2961323 5751056 3306089 3843237 5716424 6479315 4781670 3173806 3221591 3271008 6446832 2653142 3931977 5833166 3550169 4685868 4966007 9434206 8535691 7760587 1620376 5571883 5515943 5721585 17004200 16850955 13064185 18546374 10873421 10269561 11189515 736265 10924873 17677758 17040642 12882383 11873107 8652633 14237584 14309790 14141447 12066619 16907257 11245932 16403090 12958472 12954328 14974343 12146288 9597913 12493590 11829888 13245342 10545447 14235204 15792799 12141907 4256096 14959991 11488214 16164992 13213733 15936802 10018267 13448476 14043307 11057300 14268513 14874304 10940429 11051372 9755981 4085591 5127689 12324517 1564940 17190349 13763277 19565953 11721105 5951544 17629638 9195252 15219173 10202372 15981714 14193142 19058551 14921280 11794229 13547558 12050517 17966019 12089541 14273405 16309975 15786184 13095875 9999339 24124845 16416226 16919080 26227101 15031539 3667941 9664757 10799558 11974975 14748686 15463651 8006754 17647877 14624659 5098913
dimethylglycine 34773653 12588418 12341300 30457987 14793444 15046649 31870881 28028533 16103264 21987464 20927877 37348735 41600991 15252939 16689098 19362879 16647796 12533777 23226612 24688248 24617790 16748212 26938409 24999014 17012698 17372050 14525748 16996715 15839793 19868931 18975959 24742849 18484931 9866250 10971792 13282809 11945755 5260206 9918539 15173639 17954651 7458876 13833591 18579471 24325368 31198662 18237236 17458364 19497450 23766547 16778717 31958561 22682605 12095423 13283117 40780597 18452990 16623400 12037812 21947949 19325155 25574175 24437629 15525359 14600835 10086815 15823793 12020320 18158466 15630948 14597883 15555151 16831112 15622700 13807124 17737323 26130403 19734742 17933270 24940856 16135569 17499897 10300694 18008300 17131956 20965415 21819925 26473222 17058063 15649877 13693903 21928267 24498433 18605286 41359512 35380382 32733895 13181296 20707753 17908684 20731062 24382950 18765806 19040019 15251001 26239821 18346487 16044518 11489199 26359383 14838239 17887748 16532000 10957564 17740218 11917801 28229377 33132640 9930731 18238064 168701453 113843662 62343727 113518076 99812537 63942322 108645428 25594940 69360251 89031949 98073781 63052894 110754402 181424282 129934946 71255257 130129050 76259952 106054823 67064406 101284474 80901443 85062612 102440532 94437412 154442640 144200631 131308949 118311601 76238310 50820272 83290479 65137634 65898958 62792349 63913882 59023259 80229946 48066593 64537726 63798300 62926564 129624465 99310510 81723129 82398125 70192607 116425151 81999163 48112708 85886474 73355646 119751051 95647445 123278341 118556064 63932701 137090093 89233522 79639078 78262352 80830496 87239068 76972813 91955073 89351207 67419907 61000904 51710397 56412138 52191489 159783172 95796109 99502162 48295849 81090461 85051521 90401013 104109461 63829639 67222571 74025107 109585936 98932333 110962205 92336846 49441469 97935868 122070981 84562694
alanine 589010912 568996084 597895404 463967617 518989346 626859030 515055953 761817925 603147836 503873024 571550026 494758358 438369543 629952216 700824587 535112410 639284068 625236830 470037684 638294704 312951935 438539809 384000336 332069574 1066828952 417247806 560970526 548774633 280855601 603399264 430998295 570910549 365775522 512943324 585294791 445637516 269477402 455037781 312937427 309227895 620883952 312751068 462026725 312971847 613352991 358434174 658967177 564027127 745760027 305936861 460695044 377105294 488870797 615456085 502637706 463194677 545556503 910378121 735903745 437524511 524961008 418446418 387208955 597389228 1012645104 647618076 531926352 597384723 431438228 556071624 433409726 673889078 863478023 640416788 517426550 568569817 525608001 271639197 613391402 399889232 507873041 568030908 1155505848 445268328 597200963 590368845 448533137 475594764 378327056 693531433 441222507 489639298 373883745 683731626 511486550 287806524 423860220 387389092 329010481 427744203 480280790 471750911 426600190 345871795 590034807 307806537 365622460 417823474 366560407 520297465 406232208 718875553 516844089 573291936 600614262 599543999 211679354 258144933 646974232 435468552 842027845 1062083815 712249148 1156475780 923659363 1266227416 1458497661 129863751 1066594116 1214115500 879428168 1344165327 1282341533 1644750204 1243726954 1092874615 977241340 1296664863 1558156559 1037226968 1445092250 2073643351 1107899924 1730239349 923180159 1485418322 1826439578 1708207835 1120591919 1282789598 991219484 551920423 1079385092 694167793 547327475 1651226443 627297018 767240924 1007845513 937425982 809955934 1366826418 880238327 1182648918 1217752161 700307506 1009305624 752815643 1060748067 1314003605 1468996551 1119524015 787552974 1621131437 801060635 1258672476 754684052 1199250160 1064325428 1055756539 596483508 693769548 577262124 901858762 957607447 1135300213 1315672137 1142878444 715227654 1030726574 747722366 992291254 1345664398 886790417 1016980228 743426915 889885983 1103343538 806150001 1187329761 1901844375 1258689692 1038968182 1471064929 1289512271 1201760086 854050861 1054326234 1225264641 1714629613
tyrosine 318544353 265659235 202511071 281283972 231090400 220258835 365190093 439140827 123450109 215124163 187065813 279001673 155418633 227174620 371384516 160776353 218608865 255985670 196323369 284746133 166510674 235947502 162323967 124296769 183807849 119095356 234282193 196960215 131770325 174913634 118777909 213353055 174445266 123099440 220356476 141860436 166700161 122721213 170215241 123818662 284057139 86012506 250544782 156060778 360050533 193357120 242565741 185418020 308422633 288852603 119275603 206955980 235495226 208622701 182961955 174762915 338871005 272010262 218337141 334522641 257843048 217063911 164028899 202806241 222076828 198437569 219155862 217918849 189900364 217368498 161961607 281202582 268492805 239234904 194822665 196127632 169473773 144310786 141209658 125647238 195396012 386038050 182545459 294556648 231920971 254529275 221867437 207369473 225881297 223295692 157063720 306045438 296737122 256839286 301385131 154841728 165802251 152485044 208403575 308030191 219437028 241148465 232073982 137005684 211940819 165072175 150901578 182619520 159706093 118311834 134768837 247072354 202228229 241904372 129005819 215617516 92565726 106189432 110429215 235207729 249844766 868202358 386093775 365118993 330619194 444594997 494904679 66305257 469042269 397518635 502251958 426862058 722419047 454250861 722847015 585408535 424506224 326504743 625606712 443954466 483138731 844689273 473192420 657313346 324302630 653069492 576955828 643321141 473923499 422562971 256050169 424266074 559423491 348855520 291935757 373582780 251476635 178354655 273204373 453544306 309787080 303518744 267802634 517409651 472762184 313935616 317058319 527728198 411404037 389872176 433127428 504597286 566329261 407405232 370104941 604303686 234857959 355804488 519202973 383283148 376796912 299352981 214232737 321741412 449352342 469219289 357474274 321884845 273348336 323416854 212364451 517607343 509726462 287039021 353250437 184562634 340502010 346596197 383201763 560842499 569595612 371347545 415526267 575759618 483745417 530330692 252741123 465811706 455097372 642212609
cytidine 307734 285660 128923 452892 123697 159040 332362 149718 82351 199199 111586 482167 100154 328591 110336 136393 158542 173075 924634 134488 155574 190364 98891 379058 47494 28541 101697 755283 157199 90170 92527 86865 479996 234930 187331 402761 72865 254446 193589 76521 163193 34715 253338 233896 183376 138859 181613 803928 353024 395692 243778 123633 254414 135767 252396 166332 384423 139206 172103 263946 663121 339190 46771 185249 267799 182897 119948 123670 174496 357508 335757 287534 128462 368713 372318 274753 190270 221741 156774 58622 278576 160806 226572 277679 91795 321085 361024 238642 751242 295568 256013 265849 315885 42524 103881 239557 163923 219709 117878 244217 237737 105010 402392 176981 193959 204352 71534 147532 119991 115185 415217 188220 49285 552064 115640 281729 347248 172802 209384 437972 183579 674760 83899 235255 242589 113753 134380 271022 219732 491648 156430 195053 153093 170301 157760 172069 215619 176987 53287 80046 123762 844152 87085 181680 286817 226797 93010 189504 115605 63440 137737 107762 93798 424884 64221 220480 116538 135918 88995 158956 80603 116113 190206 63790 83005 139529 150954 121225 101847 165203 165630 156926 421652 200192 194980 199008 148039 137590 78233 92774 121656 90024 113187 120662 76735 146749
cotinine 415090 185866 151211 1497548 48661 84604 906975 62641 342215 63122 1195996 79518 62937 58472 98465 367819 138103 352484 182926 384789 154353 1272327 262158 45902 193207 1175382 1288861 425759 52813289 1282376 3104741 817995 510568 130559 28213322 219922 44142 436375 287782 276203 29074 437706 472408 898947 83137
caffeine 15828555 7897753 6326380 4457000 3009888 25511623 96250555 963814 1297472 5499494 11129589 2960426 1169674 14067477 2921966 8940580 1124013 931581 6309553 298489 249948 1105810 2481778 650946 4125447 301868 10925903 881359 1692961 34101155 443327 18408946 3078454 3275509 23891523 16587450 42757840 1672713 1346450 6171997 8250018 3460915 630763 17369549 11003221 1417059 211766 1961656 225948 532235 513823 320411 1173163 1153238 6748595 4065137 388689 21353444 754501 14138040 998095 53120840 14960789 2516338 83408945 230969 2362239 370670 46582772 2625042 114996 545264 322448 2438828 11411679 3874995 45041508 69031286 7885484 81081621 4052054 32057930 3247075 2426074 1466287 74813385 17219490 1264686 36317808 10298443 19119644 18981225 25013886 5892352 753718 23491269 4430191 1362368 3837675 83237174 3095731 1883941 7799076 91707142 1841055 14421966 2604015 263901 1760315 30484328 3989245 16070537 17668364 8593281 836405 8471390 243172 32365429 3384724 796541 17267368 1129348 112426632 75568279 6754743 23958836 2787823 93672107 3509950 519420 1208544 6259096 819155 26637490 3720973 3324504 8407287 543889 1292442 455878 21019690 5569432 8869034 432584
adenine 916322 807182 483699 715158 385779 727406 538725 528946 615246 2068200 291398 599193 399541 540089 517238 292355 229293 706178 1475519 788410 524913 339816 235511 411992 208583 372715 273092 510920 219542 301146 409438 281012 472196 402596 198209 376164 317443 571002 490991 629402 435628 351145 446284 275697 384728 421255 564404 500925 729233 560151 581521 1515363 450623 541913 501362 556089 280664 714599 512995 219146 321476 328490 395699 919556 268545 421502 236599 284235 286394 284462 591602 844606 365064 268817 368735 446937 311706 407246 464979 330868 440352 402570 322359 487273 407210 718426 428136 486997 498447 425428 392522 495003 281077 561222 595406 538090 272797 381758 593539 291390 295457 400074 316444 338056 317757 314761 388555 326732 239452 430259 373539 175020 267359 268041 305260 458176 293129 300654 317716 493585 392239 313236 395913 668680 349697 369855 151578 355550 339245 479792 390213 743915 485329 404230 355451 304580 326653 395575 347433 449830 447008 391326 474643 748797 357061 410349 391275 680011 423573 494946 406354 330412 399367 304943 327584 645157 989474 350591 360301 428780 305682 368911 254307 188284 491169 611130 249749 253541 336768 394712 265900 316765 438133 328791 323158 168256 321120 301857 261868 313244 336307 379769 345934 661504 364115 395783 294677 403107 350131 376612 817229 626636 350780 447600 577299 457535 302037 294893 380831 275453 374445 469971 506529 435144 546863 210858 378188 356130 400577
asparagine 58429035 82979207 151105291 75981372 90036240 100014587 135962033 77094427 82891993 88036108 76643139 62402984 70193977 139609260 83332558 68296429 109865281 94768747 111876197 126096846 69287941 104808791 68680758 67595573 133388422 52990619 108113489 90300569 61552779 98701819 77630478 94283123 69421554 96064886 84668101 90786547 80862471 63149170 83503746 58204808 93542132 39776357 86831927 74276885 105849559 97910394 111172671 100453624 128052272 66620327 74092144 85962334 96893842 158570979 89381511 72962948 84673732 98291733 134890241 66058701 107659987 94636985 87486135 102040211 111748350 90562480 104650520 96747203 98398241 76074355 86972448 90472152 100651346 97740537 98008087 120167962 80356452 88968800 89157617 78233071 79736130 106863314 83495741 84945607 94370074 86495370 83256587 74901531 75532636 146461056 64031723 116716672 63738138 79814198 117260884 61276135 69463655 57592967 84788159 70186215 54968558 92303444 88538362 50431989 87405375 70188237 74904766 80453034 62118243 77084306 113946939 130756774 76931259 84638487 78684383 73120789 49380269 40038417 57945196 78956367 221324797 351112731 184026586 284789993 158085279 273100841 355865042 42969589 225021249 253491262 221497042 239699771 317789393 353817675 271796341 317677576 189959176 281176974 349913197 168348853 335462169 349669748 319519305 351531231 193070382 306056393 340148803 380956386 278132178 303528367 247992407 196246432 264138159 194694809 216833005 351041052 204560495 217264282 251485528 284650433 199264911 325060927 246848880 338863099 332451064 222409369 328491679 247624945 287720245 299787291 289089293 271426156 304308992 355342284 296367477 320815210 265502832 359582705 346546319 429895939 218314029 199432918 196563644 285027209 146517710 272632521 269723379 282306744 235099916 275307223 213130697 304989941 349046954 315056547 275424692 222349716 305675905 295714776 292513024 237057356 463130660 331530501 444391374 449862998 415647130 342089865 230696700 280790237 416691233 396443375
trans-4-hydroxyproline 97915311 55448072 107690878 65528278 75654066 194362479 64091606 64793485 59996049 68052540 95480280 46638695 56629614 103555109 103153213 68790934 56362924 76720021 94680664 95221393 59459592 85543370 130717289 61534614 78686226 48427050 57906677 82908722 26470540 109064846 36825328 134078817 104303610 45586713 49554469 60638126 64607081 31986895 41832958 60193303 138100962 45660248 66756311 146226653 88489722 81750259 58699927 75577648 126878142 73805677 36937635 56853762 68913556 114684997 76174944 62576757 63150604 87053231 54626647 68129793 92322324 106595698 92516685 50008896 54317038 44817923 63897276 59135442 78271200 69633576 27719853 43779248 99270810 63470600 72101973 142590422 57060813 35753400 53814091 32871929 82994260 80773559 120304018 61202811 65438337 72907951 64371929 59835999 51971968 104373786 57095916 174558772 76668528 109004079 121054776 62516015 63736284 36018870 90024764 52550040 64627126 84483736 95909578 44334356 64655518 43923053 64833470 34277745 54612163 54721752 60766226 173105420 77645316 82772956 125103609 45914389 33737662 36615270 61405870 63580138 123125353 140961671 94438602 125856902 94805934 184589190 173277003 44666748 156759312 123190369 73606151 102078490 137095615 145806998 169943792 219282497 99141567 129422366 153388237 204360727 84361632 176093847 257131649 155542629 84584202 139322825 248569450 285642478 184302528 107872069 385514269 95797942 130848350 96344646 95230061 208930365 86634867 70137588 145391286 124487015 99120976 147188226 113167675 248835463 110694702 147740094 285551920 156903770 104321781 144739290 92832983 122452490 508301487 234592066 167849267 138014084 107314465 172445944 323195113 185654818 114270839 93932698 272182749 108032302 113841676 224390094 242390450 154596922 69447987 71765675 83348056 164264901 165025198 145173354 165333210 158567062 143811015 159077699 147466078 187798059 220833262 115017025 115436885 129998328 203511472 252197969 148291301 144346978 265222298 176809438
picolinate 356283 336977 253412 1152510 610030 738783 303493 527688 409770 390598 538049 378901 659685 410220 357056 693325 441982 342575 1382920 348905 203486 689662 350964 312090 531442 314208 216140 250639 163764 302924 265028 231985 725129 520858 408054 194753 210391 476967 1831218 315946 651539 348911 331775 313839 430482 381406 280548 700275 815933 404841 503555 311479 306092 319895 280728 387411 582468 276281 422351 466468 364564 311433 280440 408360 188836 562233 769284 415555 299587 610405 1752355 908369 500717 323082 298657 992680 335354 721339 266583 446482 255258 298384 492775 369618 1764314 2204095 856818 1314821 1200093 1098095 593601 2721833 936919 1263805 1068385 2379300 1893979 1119456 900121 1160074 713666 1344782 1546331 1007210 1846817 1857625 2324770 2283230 1489603 2096762 578895 636683 1377820 830812 905486 250119 547054 656231 691074 826118 1814940 706323 545708 1154291 726209 960379 2172210 861320 1814936 469258 801245 1430802 1554845 1018647 1350354 1942603 340538 636512 1010396 1196663 2661233 756783 877490 1099826 961926 1165716 929996 722098 621817 2075787 1161089 1822825 1136196 1110929 701981 1071250 1047949 680221 1321262 629377 1228402 1044627 1260650 2270529 1780763 757091 853831 989127 1304081 1596023
sarcosine 9043312 6722970 5886752 11344686 10306928 11902501 14918463 19118718 8936470 7133496 8149281 7292692 11714874 6357734 14392417 10444503 11955509 9576593 3856357 11018136 34710152 38405450 19599962 58907871 24023094 56033571 29603964 40899264 21999183 59100118 87358775 35189875 23157060 9985339 11996795 12968654 28431339 55059335 18322641 19126717 9300870 3990505 6352647 12807973 9759642 12437200 8920978 11459930 18351311 7606833 6017908 8445486 7150029 5991939 13318146 12711446 16063941 18752256 16858167 9567407 56353016 24310384 17359066 41213842 22192118 49023622 27156481 17442294 31108767 50660486 48889931 23221762 22260508 15916958 14847449 15845224 16182467 34859990 42133813 29422359 6540236 8162956 6644993 16585035 8672901 11371359 13985817 11497137 8832787 7117818 4396032 11285858 7576066 6301252 17239880 10993098 7304538 56810004 9854509 9325695 34060891 61315210 42431368 23075248 24854529 37167951 21040649 28185084 35781220 81937717 42544864 20069065 21990877 24886861 31474058 20382108 11457130 43800037 157904025 42596174 19408349 23006537 44174196 19460585 20853870 25437463 53400167 67092629 42749993 42839493 61349675 20280638 36612120 71623553 14478891 49148835 53953173 94673114 104706907 145749912 81177941 90178479 100803649 274390307 109886344 74246240 144342367 72153936 97245616 29293164 43909764 46705292 13720004 25999837 43583979 37821174 9530863 39686663 36612695 41394113 12764951 55655666 50497947 39656592 41260295 16639709 124999633 79930691 68406784 98075802 41395373 196217213 174807158 77254868 74969228 28517275 68135937 62823253 78092883 47752337 23792198 20431282 25259610 36610886 47711703 18114468 54228085 33674464 41899096 36526887 22200955 19561389 58862558 14682282 12642239 23410085 61033513 64470337 137458079 70800382 66263520 83402115 97363949 91285190 62854394 50097057 56020772 77874104 28491013
pipecolate 55783783 26267991 37503542 41497637 36514053 36450920 57064714 30766800 56142108 16958434 41170638 25550383 14589610 20268537 20833924 40965478 22946031 24073431 22632857 24451418 18450284 10979445 16720958 14797698 20645062 9603045 15311601 42248798 14208791 17825446 11786582 16300530 14299728 26534939 12658950 43085224 47695654 42424852 19856671 6711818 40863455 9338260 30501944 18716065 22627970 17692251 22179512 81566097 26106378 31643616 53923696 31607703 18654285 36161768 29225422 18814366 21271946 25724293 34072549 24403644 19432219 12849198 13252672 20557196 19896157 18926903 23415990 9449352 20630117 13836566 11396756 20430899 11793952 20066701 38811117 21748007 18214609 24982098 33444882 10050526 21140540 63822792 30451002 21222962 16376620 22529213 33923953 20726034 27236716 22420053 11868246 27489996 29680578 51686773 37194346 15870437 24483065 21233111 19213776 35105513 15740244 127781114 16236614 12728493 15329421 26993764 39622527 25134653 14577130 30533245 29852325 24675311 13409571 26414234 13141893 12212728 37757092 8504280 4263090 12755169 104234083 87293223 64223300 64998191 133097511 82987812 71808288 11433677 64473272 64702550 329339619 152192851 193474080 72273865 107948962 99401983 291379948 106812553 128989713 58428237 137114208 85361866 73068550 87759202 76791718 382122853 51276250 96148663 70163984 98567021 118950653 42895768 37747312 66767083 37325954 26817732 77421521 120629883 64844511 75421047 62378758 99255877 48559456 102274327 46307037 41354147 58709234 43239022 54713657 39941936 101006598 98629159 99964725 68493643 45697255 96879897 36005108 54259335 75560926 56623289 70911182 35408808 37830116 35295498 128622851 25291653 48173128 46111224 42023671 38159504 94559641 94665903 52561492 104248822 66848265 34101536 61219030 33493816 48042626 187261082 40574133 557333387 72733889 70739601 52776936 269876426 26182908 51953363 81671675 86027591
phosphoethanolamine 3772766 10346800 14626682 24377981 20439104 27687871 15864299 12874468 17217091 15125219 17890362 12939463 17172801 13109955 9770740 2979478 35962345 12418764 8392139 27429569 1659803 1128243 2858624 3065954 1658080 2569064 1404419 1876636 1805977 2468422 3084835 2707262 1326992 1344101 1254237 1920334 1812381 2998658 2992218 1536778 9301935 7798090 7338227 8765099 8300524 5782767 7232440 6734603 10258132 5071828 15585335 18397322 16161787 16181275 16130158 14758801 5428769 8797400 26806565 11828442 2577441 1553731 3042694 1617565 2670862 1637921 1720313 2126786 2230198 1508526 1070583 1482485 1763874 3120143 1452110 2770339 3009083 1601076 3110579 6771110 8317364 8620922 17906166 4376212 10078372 15247456 26618864 15719811 15475594 11454160 10710719 8548323 4591768 11057231 13644045 22040675 28269656 11359395 10706840 11430583 1259868 2665113 1114155 1254662 1275933 2104085 1492844 2147094 1594451 4190156 1385252 1219173 1933124 2364545 6657502 1203665 1503715 2009412 2490640 1588279 6039981 3646971 2754951 5430821 8505487 11879653 5020825 508195 8965630 4096720 4244016 7591756 15253026 3956589 9217675 6001849 3927711 4518230 2909272 2757438 5626337 4029098 2723356 4061939 6490871 3065838 6347698 5831381 4192894 3446181 6659685 2616404 9846515 14939316 4396281 4265217 7494333 19525476 1707095 3789323 2802972 3364787 7706756 6346565 6500346 7855463 21694863 1797270 4927135 5151356 2400177 2481237 2883248 2745612 4688051 3250979 2009838 2876251 1605963 6807972 2928963 3858722 11871891 2731553 12977989 6998478 5776275 4076326 3468442 6726698 3118442 30229583 16215336 5488102 7385490 7498808 7055242 5870312 2992234 2465286 2961831 1666602 3273565 2554198 4513258 3273200 2631285 3665046 4629680 4979420
3-ureidopropionate 214560 147717 159297 153791 151974 203914 1514971 258966 204938 177612 211019 374032 138211 148590 218246 245079 220179 249454 541383 149659 254768 212715 244070 162170 96164 162117 109753 193538 253243 156403 198326 200320 132814 71408 141650 1220093 250870 168240 69727 193283 230746 218618 220637 165557 204810 146867 441971 121319 512711 175305 129851 121346 204756 222381 56841 397203 311281 95261 233703 289482 347166 83513 136140 100942 114054 132299 127446 73693 298296 108065 286770 89659 265100 461672 174711 283930 88247 343977 66851 283948 227000 147503 309684 220488 162211 88021 48449 166392 326821 220380 489532 126370 333516 210703 274811 275714 118160 161243 129114 191293 157948 411766 293090 356872 82083 194052 81024 108182 159953 77794 151746 501748 332662 73380 868642 352337 588460 564105 558744 481655 427246 427015 1333558 440074 2448122 222371 483013 624112 397501 499495 624707 717536 539224 592615 332133 444355 500135 609643 346530 855378 483177 1146759 682005 752848 405660 369681 396098 452147 487761 199525 399004 165218 363435 191545 186333 1084301 281989 424034 379494 438422 845726 304340 229127 241103 377947 480078 309876 457595 529570 645859 559951 331281 571631 336629 294891 498822 434285 341891 335325 301494 1054167 544198 525855 909725 339021 884370 319860 338463 296942 472590 377144 460259 501220 470931 353112 386910 412167 516642
N-acetylleucine 619150 286905 216731 296594 294758 196546 495101 714083 436919 375186 391775 300731 236107 280910 359854 220288 544215 270616 498899 476750 285266 294904 346043 468162 354960 206094 348349 332298 219369 387668 140151 264812 335725 200986 311184 260102 330178 182306 341755 277163 350568 145506 330891 334659 432532 265346 308300 297900 935584 227395 599036 283082 246842 180889 331670 325921 210488 312498 322847 306269 487067 411701 227238 411894 356333 349281 365042 247914 299038 299862 351407 270892 226458 429576 433865 261232 205276 227396 512995 240941 281717 381716 353044 262327 268835 269321 265137 431739 623528 262922 301241 282672 414059 213451 232894 420470 391832 201993 262327 446696 372282 271453 397171 258003 260173 327137 208405 287863 496293 453365 422285 275562 217344 377609 228364 1104012 1624463 1166101 847007 943699 1087382 1596648 1594828 975809 1502819 1691458 1227646 1166677 981044 1810555 1098067 1283364 2283648 1461220 1958624 2341400 972351 2624445 1328115 3144592 1940039 3086340 1098553 1197394 910154 1158092 1226630 895430 417185 785245 470800 372319 563222 901506 663220 540136 957602 1011738 677443 1091191 980179 736440 1053039 887991 974831 981862 972525 967608 2014347 1123040 346629 994540 1152030 828181 1229963 1138649 804047 1061731 1121088 920516 1270512 1281269 786289 972923 542982 1184700 595891 982536 874667 1091117 713344 1328750 1032756 1139731 1469202 919725 1705423 1499107 933806 1016308 679132 1318728 947395 1408909
gamma-glutamyltyrosine 784405 635737 452725 648879 418556 507038 1122997 1088435 227320 377692 557646 573828 317952 644732 1164079 376374 478915 479692 401959 725101 323400 490962 286490 326934 378446 276829 446613 495111 315517 667359 366028 501398 379864 294425 479439 386462 424208 166289 328910 257157 620933 197835 545343 274747 681327 556369 592958 317759 870721 654354 308450 483437 420189 360140 568706 338772 744139 553087 360773 765042 349050 573545 390130 574748 385276 426247 552231 474204 414289 513213 323226 674268 741102 580651 439903 496218 524987 370620 362761 353494 598113 1083639 406932 720446 671194 658536 599528 392199 324733 530705 285720 733671 614241 618585 601233 376750 323503 306544 532936 556055 509878 386654 588147 273841 553704 352225 181023 316105 277230 340215 299062 765233 449658 588660 403820 388040 94789 191243 257321 409395 1325671 3462512 1687293 1896831 1440456 2077597 1928295 152442 2000703 2349182 3275559 1575292 3172986 2397563 2793836 3200881 1601379 1064237 3384213 2237655 2793792 2753569 1666556 2227797 1186057 3180733 2525501 2053647 1959755 1627694 1065655 2197820 2764428 1874060 1233366 1959810 1299335 1059348 1200355 2236697 1293366 1330151 897553 2584425 2603628 1068554 1186806 2167143 1391628 1422010 2894669 2318970 904002 1404001 1819897 2883712 1398569 1962847 2558317 1856155 2222656 1655840 889503 1893249 2643573 2088153 1503467 1112838 998035 1392987 876364 1754057 2006397 1612985 1962055 1039865 1445201 1670472 1710463 2644942 1378938 1339175 2310775 2103482 1428618 2879472 1087733 1696735 1801595 2315211
4-acetamidobutanoate 3105657 2513677 1587205 3229697 1362734 2906027 3613182 2249355 2237940 2289850 3921160 2799094 1905293 2601988 2801651 3822918 1677741 2057681 2460629 2496801 2618725 2627793 3252420 4186032 4039444 2376194 1554196 2256870 1803261 4267699 3077108 1891890 2474856 1893859 2339636 2271635 1747311 1955091 1572298 2670630 1879334 1500493 2070542 1875605 2053005 2662177 1914424 1720699 3246215 4750746 2117330 3424158 2401482 1633991 2655584 2146144 2399367 3506309 1541395 1386181 3587933 2901396 3356945 3523986 2558176 1370261 3013528 2035261 3711911 2538148 1447513 2819603 1906053 3028869 2907171 2343767 3444851 3185192 3313059 3067256 2369856 2250350 2486292 2468483 2676862 2328142 2806458 2426703 1466054 2768279 1840125 3098147 3937820 3303366 2564263 2039282 1886836 2430389 2103123 2734993 2208725 2641434 2234034 3203865 2527689 3694836 2038015 2067282 1772332 2229815 2988607 2975176 3024508 1995125 3523519 2345486 3998317 2756395 1375837 1532108 2773681 6892906 4489571 1409696 6665634 3362560 6615602 1154587 11091552 2899327 7703585 5482565 6483840 4042979 3677176 3843078 7905361 9358206 5853575 4466200 10864603 7681614 9165276 5787202 6596545 8991585 11251890 6815967 6537126 3333063 4419600 7035486 4745026 5041819 6287067 4647575 3725801 5276068 6529840 6096542 6317939 4081829 4631909 5357078 8440149 4647389 4847471 4564938 4286427 5555530 4834469 3627750 7592670 3445399 6533056 1382866 2773348 1999240 4677708 7005160 4670867 2932477 2890424 4174480 7426727 6433704 5017579 6185311 7632380 6112702 16427346 10141928 7623018 7440589 1594315 7635887 6718917 1758746 6010553 9497980 5778665 2354636 5328079 6934697 6547424 2086383 4692837 1656343 7411795
3-aminoisobutyrate 11131909 7291195 5092804 12975264 6441117 3174998 7306667 6881092 3237401 8096675 11860122 7623845 7657408 5606363 6553834 4362756 2725011 5505769 8358981 5674024 10769432 12089088 14310808 20843280 4609498 8085532 6571315 2957739 5448034 11534021 10850095 10455284 10968734 6100658 8552884 9103677 4255637 3630917 1975946 13012562 6565979 1678962 4093767 6078650 4744726 11904023 6043815 6081709 11272546 3973950 6567041 11585689 8116587 4846280 4020210 7780239 6605612 7290248 4444428 5999037 14903321 10460559 15268159 14078563 7273048 4831262 5181167 7708132 11214708 10120638 6827053 6318261 4332203 7050945 10120559 3660077 11459524 13445160 7331335 20755905 8172659 8830121 2848655 6791874 6996898 4403908 4213099 6079629 3164071 6065539 2392291 7064175 4109140 10217403 6103379 10420817 1499570 4612854 7367883 4295616 7973753 11677899 10354375 7927750 10608518 12730698 6826874 4857608 8561447 7521414 6898828 10894095 9982311 15778692 17078056 5206257 14459598 14905117 2350233 4974512 57345447 28964432 29128754 38033806 15960303 29003851 20616995 9544586 52317981 21761648 39374714 17943986 22287144 33894842 33413149 21360114 25420139 9794588 26148699 15937413 12375761 35495121 28127631 27983079 36100434 26475386 10247677 34497780 38508443 22908997 12569899 19453009 20527008 11692598 11017922 10068784 17282825 19766772 11343686 25423238 11355214 26172315 25416261 16044996 20429678 15614665 19761527 6352896 10906769 11102721 7693198 15091240 27616043 16726885 25698292 16811285 4849282 17320352 54511387 15860644 33281504 13769666 16030136 23805273 14471988 15477635 25547568 9803111 14451085 29284369 16337463 45378783 29274647 26221030 8626224 18079114 31032549 23308041 14835141 20839377 37462626 14583144 25379153 21469215 8839942 10429890 3009765 34395503 41249055 11191033
2-aminobutyrate 65497345 59397762 74366362 44660242 47939673 35863048 125374917 77271314 58559791 94155107 84971158 47171783 103223095 64685305 74487444 37974483 27946057 63573877 71392680 120803575 65648087 88304618 52059334 109034018 43916179 52772340 73479417 59120482 62104899 97853744 42792507 64989332 69351162 57176720 76085461 52249556 85512037 45961714 61104159 49766934 88049885 26057175 42151652 154286667 49352919 65884612 72747097 65649823 90502296 39619675 41020223 73816446 90156630 88575758 57939380 99035671 78115604 86941731 43809152 64720819 48901871 105360507 90567353 53697016 50998309 77441097 52707017 40339185 73422318 63057558 36969298 67811532 61229111 44534250 80868449 59546259 96304553 55831885 43601905 31665607 60344109 75317196 100671652 84465466 72812122 70645798 50067669 49498595 34668463 60731806 39146053 93870274 36110460 64777390 64158969 50062395 61363998 54725366 77433832 34972190 76809096 89090540 64629046 104952221 113180816 39339360 153837653 20581842 70068683 58197687 59273646 95741021 94534059 64408533 64525764 43843130 29330129 51181997 18260264 65092744 306834894 373943486 242237498 306861847 229055213 323091265 297616774 80290580 306276866 205630370 170404821 288844609 484641773 224972150 231050813 198428817 222567794 326991179 243532584 336364596 193329470 370725809 303903665 328888607 324419386 386312516 326539641 537272403 395857795 233079399 125722681 251173099 181681179 89585152 119062026 95391292 175652492 113157275 202523789 217442943 108525632 98280316 109830897 221087770 134559075 127236958 175683770 229084598 142191663 172376285 109382400 255496259 228795810 214750138 217318936 238766469 83232230 366363249 246526638 191292168 173229064 185878248 353147651 137031222 137276863 170763714 177844377 149802055 119574623 245886467 186883113 221395775 25134685 190121526 141985242 237745291 278781119 245128184 214365349 114742458 26754593 118639106 304575307 215323226 222078330 151518935 167594620 143453081 278420215 202712539
gamma-glutamylglutamine 16950354 20087520 18363713 18801748 19501063 22435360 13415815 15343778 8659488 10542423 13849859 16123625 17594450 22730625 21230642 15763893 25592759 12451544 17526823 15026216 17247082 23668943 15048854 13400220 31329667 13935812 23215431 24414638 13570148 34947685 17593218 25315949 20807157 18172340 19058818 20190762 18397954 14693734 15052032 14846657 22620190 10787158 18794469 16226855 15707249 23416038 24940018 20990056 19230433 11571162 19788005 22252869 22821603 29516620 33041385 17125538 8449379 6456200 22994710 24751405 15934797 22952949 26155081 29154208 26560553 22013794 29881576 31430772 22200288 22118676 22054002 22643039 23313822 31533651 23259503 30398015 34238562 25028894 23446356 22296085 26550103 11238865 17825758 8900176 16047116 21424927 15268068 11546538 6624984 25117962 15766054 32214597 8454898 20096571 17017514 22038738 13381712 2277577 13311433 19174858 14502351 17016218 16434816 12505257 24417834 14855742 13153904 16963824 16198529 19030298 23583271 36264598 22873953 20299174 25200644 18354803 8622714 14058922 10818745 20023135 45858310 55583604 36838490 63634109 32728777 54143265 49231902 48518964 71677462 42058603 54292920 53090378 56743313 49962413 46004913 20802795 63363795 49830268 29936597 49322061 62466860 36384932 41464931 33967765 42046885 56053205 53083103 40268260 52407447 46818685 45030691 61822289 37100566 46570659 87778733 53720087 42179702 62092725 49738650 66991964 69146394 41499463 48934815 63993724 62144195 96750467 42685733 45166135 53525177 50766444 35066820 74917894 63611313 41273373 46920764 21234418 53163958 76498905 47380725 51375439 50445437 32771188 54344423 58454102 73832094 68039803 50686777 53479184 74208561 57152082 67764410 72469849 66570822 53659906 51996715 70872401 61413909 50976741 38514716 66201967 51822599 60680676 46045207 43052348 57386793 30780887 30448000 46771133 50003107
N-acetylneuraminate 1374267 1907297 1351337 8277267 1815219 4482881 4813851 1798611 2918945 2076211 1734463 3151688 2054334 2241480 2109742 1587620 3424052 1950186 2341566 3031360 1300880 968278 1638820 1892147 1399312 1079404 1065714 934893 1505480 1410415 1570275 1230507 1071201 974312 951918 1198218 1329993 453064 2283441 1093786 1065260 2136309 1628645 1385288 1299622 2160458 1218120 892583 1764024 2381788 3356830 2872645 2156602 1511192 1946973 1758607 1758220 1273807 2564018 1966993 1678447 1214782 1546997 1420586 927249 690676 1359639 888560 1133066 1037051 801776 1234591 894316 1678873 1050006 867084 1421792 1362659 866184 2016604 1323462 1958837 2345292 1647178 1475512 2469521 2967910 2642169 2075043 2120685 1834885 1191313 2252589 1589354 2167023 2515676 3736391 1022518 1546763 2446229 1244222 1118541 1117188 1093104 925537 1666808 780505 1797165 1285968 1615022 807987 966012 1000427 957770 1613859 739530 1912708 1234076 429832 798087 2748859 1264991 2131091 1747381 2154169 1408822 912025 409256 1391543 1154919 1450753 1097026 2275791 1683153 1659594 1331369 1427454 954656 968166 872722 2375459 1597607 1236096 950158 957417 1074745 1323201 1395459 1216057 890598 1515146 1586616 1410972 2471909 2146474 1126678 2009447 3780033 641706 1070442 935732 1041836 2242180 1717090 1330832 1633051 2284265 703949 1033784 790444 1577452 919193 1187357 911319 1029086 899549 573254 708628 1067747 1192167 2107017 1586019 1529242 1465727 1511765 1125531 929006 1146869 984732 1218042 1380857 3447005 2050354 1649445 1516386 1131234 1084080 804289 783821 844319 1032866 937200 1239569 959303 1180905 1052456 629976 855213 1532147 946542
N-acetylglucosaminylasparagine 101981 159276 103787 386482 178692 287414 197131 316585 98943 136902 85767 138678 234492 123359 245183 201691 437862 181883 174075 286344 111638 165504 171284 184025 197205 197457 127420 131134 103206 212946 207356 156151 128241 107757 90105 102311 156387 140670 52251 97280 133665 96115 143389 130912 55733 157111 189752 188733 182609 165835 163469 173631 138818 176896 260590 278596 144006 276198 246229 119031 240398 186314 195634 182965 139738 123622 217544 79437 102863 187022 148305 182498 81158 97593 97743 121932 125830 132224 129762 191010 58464 52047 88305 63976 80281 111718 134284 190962 189764 154185 143069 160909 126553 81047 220824 298543 213043 215635 64550 260742 182264 138118 138354 135702 134087 132951 117278 132738 91101 140690 159378 173483 229247 125973 150480 124039 59944 166288 203342 95055 357804 207967 266018 308608 409575 219805 530671 191316 357104 468180 279954 317079 164911 310474 466208 474345 349787 635855 258391 397193 398977 276627 359293 386941 431936 274632 536782 482074 390905 605711 258920 485118 401189 361403 203610 339158 340933 265855 338378 126404 271553 499254 674138 315017 294932 372029 422045 271413 294773 449444 420302 491514 73458 288444 329873 224925 371678 350925 292067 346567 446144 397186 345770 197129 345198 472522 252661 717195 495318 354657 381110 281528 493168 474634 338377 463917 370221 252215 396267 324765 195732 378429 154083 353408 508998 366090
creatine 597620413 595341094 484166987 511130524 466002655 683810169 684071035 325862599 252262939 683493923 654496821 227855836 329961951 603049765 316791979 588864119 416710122 561157863 711399244 447761315 413379904 388696649 672227550 604415734 149184921 355586384 454236434 305640395 176863239 251903192 153493341 416686022 396795874 355333647 276163946 322027975 405707244 231392169 347881862 260983916 581754934 404061121 447258367 551458702 391305862 695929796 325337823 349690521 507305192 766439522 558285304 698632412 652921088 472884954 268883015 350620734 521338425 406316733 546749464 191970530 624127369 430843759 463055289 128756646 275263027 224233324 250656470 182839994 403103215 300166975 239222995 262835797 472213272 270503565 366039778 361681145 351821878 478477188 180545624 231048728 434370393 585406519 636197591 531775460 634389871 386647081 559695339 634774639 632359234 604621658 199287721 912566891 827969517 382892339 888606516 803707837 303243277 216126505 457078247 438167676 222086800 303156079 430808129 598948087 213973098 342308941 596169623 191477728 309853094 236665488 130428401 144001363 489066306 285576104 442481894 292557619 731941144 724292646 160899178 425022046 2714768276 1571393729 1286142629 1560108166 1896712937 927879671 1475936969 655517165 706403499 1158624826 695984006 1058224338 1832389623 2037928608 1134840504 1205536363 1050760948 1382360782 1410112073 720216974 499120540 1381048206 1793666342 794728571 520058141 1018629301 1730793522 972372059 1893387256 538734172 1609244858 1834626333 852349836 1212199282 894310999 824136099 736825424 1333905861 651691015 796305868 745521085 683108156 1519168925 1360432303 975048723 701197824 1059353977 666096374 1050856796 844316534 490303823 998735582 428989573 1191944302 634121794 1302880055 1106658289 996354197 603396999 1155858146 1179007838 1275764230 1350389187 1097427414 1343704953 507509226 1442234859 786666391 550923314 709035742 725273539 1214992425 798505249 1552518170 1236783848 1544268229 1175999068 1350693871 786295645 711633292 474028232 1304509452 511434025 716182650 1666465268 995977010 1247944657 1428737535 838347660 839655584
"cys-gly, oxidized" 1338933 854540 1207355 1128810 1438187 1623420 1111634 2033706 1447200 855935 895576 1510486 1665307 839542 1450811 1151931 2148996 1204815 176219 3093322 1289050 800951 873081 907446 1836881 888891 925059 1791760 1233135 2690252 893114 1712041 1322882 1343705 736085 1075790 1117701 592512 1176437 1753413 1016101 648226 686154 525513 771482 1126018 869405 1081750 1807308 711433 1188254 1459269 1177803 1166126 1647166 1512278 1174511 2508056 1618682 89179 942561 2036985 2064601 1482685 564516 938827 2055227 1914318 821985 2859873 1896629 1318216 1034841 1971212 998576 1813674 2807885 2227287 2102449 2025691 1221797 1443114 1072522 1095384 909464 1643231 1306862 2081190 1234423 908019 338637 672514 599148 634530 1010009 1868367 2442446 749257 1461216 2305675 1281863 865912 1378287 1113130 1355878 1042718 912628 1384061 1620207 1121462 1788263 3030571 2243262 681311 1839345 603904 1144615 1241713 242948 730213 3729379 2049813 2911558 2268545 6158428 5872567 4798978 435712 7124144 4296854 1802875 4046364 1341580 3633156 4333914 5010051 4606026 4532187 4403429 5499873 4211220 4180098 4918106 3209541 4212635 4995367 4354620 6644306 3363172 4037573 2743074 3070353 3701280 15299205 2811896 3138970 5316351 3659792 5248621 3848475 4636880 2937183 3089258 2743513 3598516 6007715 9157677 4220715 5947771 3840369 4726151 3071440 6737807 4033182 4607582 4264239 1229993 4696339 7501472 2699563 4711329 3082231 1489377 3116237 5984691 5286894 4555421 3328254 3438055 6602986 2606938 6654294 4109947 4588819 7067022 3791811 5166651 4539242 2065201 2840844 2592473 1946920 3963057 1939528 1861606 2573860 1389010 2952063 4515952 3283980
gamma-glutamylhistidine 280172 295610 288671 244543 158519 215896 201637 289091 146158 303461 301165 144310 374174 314057 360732 355868 291505 245825 851323 388885 252742 259781 197803 148537 423225 120871 330247 394416 184164 420981 97553 263598 246677 248604 334576 288691 172915 257024 142874 190543 275200 199435 198791 206325 253799 253580 309421 282186 319295 126752 409326 227132 294044 422082 290243 317032 204054 271750 334412 202874 314134 304972 324820 288536 370336 250242 404598 363403 214415 384273 275875 460495 282604 238704 309370 493267 295282 160577 306245 259886 290936 346028 161383 268468 325450 283009 299120 228861 114726 394633 160854 309260 219309 190886 348157 315896 93274 65961 266759 187289 249817 214105 246153 130965 329425 84991 152366 106062 229725 128157 300230 638674 362254 276471 259962 334430 86982 221793 139477 309719 1491856 1240099 427474 1714312 1111164 750777 1033373 195338 1095910 1083423 616327 770500 984003 1035202 871408 987141 659612 785669 3465701 574999 1093614 1087312 1242006 796654 644069 1074949 1428126 1459026 1375631 738229 1561283 1196923 576691 953753 429941 782009 1310750 852889 500483 1002069 833020 743754 1025115 719215 695495 637162 643034 738216 711051 762808 872995 527874 464258 823241 1740127 1028456 959948 1134445 718388 613808 596459 792118 439359 1762826 551764 1104868 938730 508866 1706720 605164 516707 630782 614877 820360 940475 1445646 992490 794186 1134617 622261 790611 859918 757764 571890 771625 2099945 569725 600292 647149 732804
N1-methyladenosine 1577455 1708612 1244498 1655439 1186698 1328735 1386967 1649340 1092063 1276559 1174897 1461734 1309114 1294049 1707776 1460367 1672458 1105012 1436647 1318145 1478039 1195733 2107091 1909259 1803782 1574504 1273395 1248637 1165211 1594059 1713910 1680951 1619871 1149583 1287680 1077331 1756337 1379984 1290143 1233775 1122441 518963 1287989 1071783 1271231 1306344 1222236 941089 1251472 1461953 1355498 1623711 1083849 1383890 1374186 1359787 1275969 1108737 1189067 1614657 1874843 1495948 1801268 1788101 1532564 1484972 1586582 1383911 1130661 1595652 1340562 1464051 1304925 1332322 1279884 1388764 1463323 1608326 1353689 1555938 1273225 993860 1056635 954193 1331973 1052000 1213653 1245394 1075735 1255717 1101799 1063226 1329823 1391263 1421511 1320559 1115202 1098759 1102344 1329826 1806840 1760023 1356965 1392253 1312857 1805170 1233531 1267401 1579526 1366381 1226298 1537325 1454046 1160688 2061272 1349325 1897448 1723149 1477964 1131376 5805955 5026183 5535141 5724078 4093146 4964576 4201003 971437 6036493 6285623 7967116 4268676 4102076 7297670 7291439 6210110 3711989 4676131 5006582 5812007 6602435 7749551 4524723 6228295 6689057 7788491 4585373 7556403 4466348 7147107 3823607 3280580 7041684 3594614 5067979 4975406 3793301 6105422 5438478 4140961 4496039 6375514 3776310 6157857 5068714 4890902 5146801 4010208 7935413 4132771 5884523 6713007 9271246 5153784 5519329 5149552 2068313 4740320 6091469 5572472 6679442 6005900 5098738 5440157 6070997 4409568 4611709 4187970 3835895 4026199 4313757 8157998 8614256 5281813 3309617 5386712 3745161 5806633 4198131 5903080 7759792 3290374 7483760 6083079 6552310 4434370 4062839 3723807 7528012 4757424
choline 172530837 129275319 117354358 161661908 103533019 156507300 200675308 179772719 158597056 150274094 130076805 142865633 125363161 115781356 146673382 119951296 135426693 151276925 285152041 213292226 112754909 110695759 92577025 149866598 103719785 93199443 103825986 110160143 83402755 134523853 126746516 159904667 89779750 78316849 102639665 98113557 99299503 95662043 135634639 95788535 141644554 78536250 112603829 108439093 165589578 121138643 90305239 115293460 180916170 149959629 122742951 174222478 128136193 109843167 159215811 154580568 190139114 172506547 128222601 136424907 140984385 132075780 95457578 136428823 114866192 112915574 130908040 124806249 117623402 123920605 110434753 135904689 90497140 112163606 109656055 150400971 208146302 130534864 147337658 145839807 150346049 125712140 104469582 172359374 138550304 178685269 177127483 130992072 141632718 106453483 98611367 109445533 157309210 134654269 178415422 118933669 230861429 181108442 131447771 200605091 147957774 165462552 108470231 88990983 106651932 160018773 85244645 101679197 120116149 147477927 122293967 131914127 145624426 119939866 179383151 74096393 124402024 71191298 102998998 94400424 693107794 600345198 603368891 735544278 753544017 767425487 894754844 192169810 1004981757 714514761 1030904709 573471877 694564250 858739419 1071387445 808880034 818663019 962398326 1214386770 706370294 1087445466 746937841 834856381 923118009 973911722 1341523578 927691668 1200209147 930093199 703097759 554614853 539286237 773197783 921102467 483304552 630908145 627794124 641695442 807896497 803717182 612776569 502364602 811084859 621693355 659679756 705199349 891288798 721769736 823745602 579600486 726283840 847316910 703193799 640578429 886561912 1116551051 367850395 762641937 863487127 722843166 670480948 641333085 543339025 615379310 658057646 695121596 1000581274 708379440 686706588 695351488 556650502 1181192122 825111495 786552513 696333410 654047187 635023873 876658763 648518509 529409659 757798428 654433968 844104051 717700406 897183523 610116291 589748995 575670710 1022861300 818220265
anthranilate 536151 451642 194609 374743 211724 191720 260657 293970 196222 239522 492214 531672 277204 174073 411767 258647 217432 432109 1291864 448367 354452 219446 416357 256417 184874 212915 281185 141050 188930 310658 128152 230591 224885 215387 154568 224127 500653 96268 155261 190365 203806 122824 330481 346606 535150 240462 273050 325934 207138 618207 230517 255720 283476 140789 204455 373676 567217 145890 224027 370563 306573 218682 224650 389151 251079 179884 283240 246029 169942 188269 153553 225707 223185 159544 296269 168970 423963 232829 328631 610388 190209 238128 217301 592171 176354 508887 308389 264456 260627 158259 142699 943593 523903 222443 798243 473293 282766 222125 356977 649037 150244 161204 166708 143356 199614 300452 119424 164452 199884 182825 182681 246487 159557 174840 155769 1026311 167883 155192 243528 367857 1270131 292551 277314 265328 566946 273786 2467852 197978 687831 243550 524231 213710 313602 320980 494899 456051 113458 147319 222516 357922 383244 184793 227937 269497 310460 309381 377225 430598 278430 213908 447887 283529 148106 433382 200198 145185 329429 327707 211254 234160 293828 302606 351504 313144 255708 213629 158116 143061 313741 441454 328462 130804 296399 269707 308317 279445 459651 315008 233946 291065 408166 336098 260965 358382 323877 176837 105954 294493 241514 182990 265913 272993 247910 224377 206315 115765 167232 248331 148515 298621 108618 164727 465672 154848
gamma-glutamylleucine 1718438 831531 789914 722808 555161 444054 1378936 1639112 632580 674340 1400427 601569 713887 1009483 1155168 446061 885142 483223 900442 1404268 729161 648313 524976 914533 548474 385654 693477 1088244 488693 1475550 429612 855626 678668 656562 570779 604817 876022 453639 591256 442830 1328394 221041 550222 626737 942471 887941 705426 765541 1356398 1191631 654890 629691 592978 560121 879375 620944 604487 518064 993443 648717 489133 764541 958297 881689 530041 663245 772175 835577 527803 1104716 657945 1012566 648406 700436 825430 703170 867758 766760 754518 733409 653136 1571482 779430 787245 1167306 981249 690610 596273 462121 959746 677272 1612635 1084824 678858 1064936 617367 514558 457437 569395 734778 919948 486062 708087 755641 1088600 396636 838843 353869 603398 528857 589498 1177759 1029018 728592 855697 692494 239520 592961 347350 563196 1214351 2145108 925323 1094188 1381494 1471745 1819056 232108 1620580 1603323 2218254 1243099 2302569 2513389 2550951 1101377 1336900 3575649 1912237 2687111 2614860 1687059 2052086 1503770 2596050 1593312 2017580 1747831 1236879 662509 1603026 1306153 1240506 661811 1036045 852332 1080264 949277 2032202 735538 895091 481970 1130585 1368813 878471 855475 1250584 1371259 1268531 1846919 888632 1574184 1697725 2090896 2228157 745588 1753121 1347875 878296 1597053 1282344 853169 1211036 2063548 1840602 1193518 763668 884154 1217062 796119 972131 1126972 1250898 1432673 1010679 1359073 1821134 1719781 1393565 1646236 1084204 2288085 1626744 923629 1941806 1106345 1423711 1425451 1784444
3-methoxytyrosine 654993 793560 629945 1493855 603327 1241135 1078298 952328 870034 1135401 589405 923352 943942 88446694 825563 1064705 818198 879045 972247 927655 1128215 1310695 1552396 1751382 826789 1002482 799610 547893 1496615 1268981 2029195 1156250 1083524 701026 1137934 1041504 572522 517760 782833 1459644 913756 435834 864458 682733 728928 1320478 1602005 748165 1366432 801316 633283 1192138 1094638 661796 1086772 1139417 766160 1149363 713536 1978378 1409626 1833291 1163441 1880941 763689 593720 1020300 1149995 1357065 1025857 507048 998193 1185969 1356866 1152310 625000 1245469 1381811 960533 1334270 902401 776294 512932 731753 1158817 1135064 1720443 1132293 1205020 87788495 942970 1144793 769896 886316 1340972 1027663 1212720 890171 770112 886913 1011226 1665212 1535051 934057 992865 1179110 457333 1170371 1118900 1030712 1181810 821451 1002886 802740 1258412 589138 1202337 1578646 593031 887620 2361382 2129740 3146808 2663468 2327158 1849488 1224005 575393 3459918 1694160 3193367 813482 2374620 2689390 1642088 2376772 1603284 1367755 1776047 1437340 1262774 2175419 1499397 1113915 1494500 1312079 3913787 2011459 1534695 1821766 2374328 1771222 1938614 1529423 1213007 1173634 1793755 850110 1354778 1405455 1724267 1510046 2378114 1910850 1247690 1181734 1299454 1990560 973070 1712354 1039387 1367027 1664349 1157165 1382909 925017 780178 1827184 1943441 1860161 1989709 1863134 808177 2312481 1134417 1386395 1073894 2384614 1452901 1253097 1325361 2954794 2287240 1504582 1215282 1933037 771225 1532686 1337625 1573138 1972626 1578567 1774699 1527894 3040885 1820558 964261 970607 2298290 1473077
4-acetamidophenol 106342060 99351959 76246186 4592546 8655575 3568321 410424052 40664114 206380567 6684763 14066451 139141571 7562873 26927740 118748722
carnitine 1073723299 1239383736 793461857 976565507 834576265 821876040 749875782 908208117 774229319 997256804 1097582542 736617791 715311543 1059271476 715240819 768036186 933181235 891522480 597120093 1003635257 516897075 977469347 504170516 688983138 719297837 684483040 1002244524 1103889310 800550507 1033241719 691077929 824151822 730450076 664177218 941164249 605888930 861938883 468255797 732885351 580537954 1034495043 409776309 876833791 921056832 804355678 993564641 948029740 881790280 1250660791 1028247883 786645780 787913470 932119557 759486106 944322310 792652647 1131043454 934778998 761475565 1008515540 804750873 670030964 643706900 1072573650 820568592 748509451 910138445 501771024 724477014 831956578 974379429 789786658 995360420 795170057 901520044 874596541 1055658692 809039465 527789983 649208897 1097440618 1073486407 769180106 1111385683 853914077 853971593 689456304 853749058 770035437 1009209987 816149804 1044573064 1007304468 662982801 1149342762 900946511 818216282 579210399 761258094 728250402 789729790 650386269 682040672 596688526 1007169833 1001743838 648430488 504749432 844625144 683690343 500839663 1031931025 903959428 884393625 713831667 980212168 538140319 400972757 574836784 936135708 1849721423 2516170988 1683130811 1769391440 1472646624 1697421492 2263737085 455962499 1447192128 2108811388 1530552267 2035328362 1982294827 1633969012 2010683192 1774715301 2089769490 2168058900 1745538663 1705293050 1318632436 2770812218 2274129744 2566997235 1565880031 1684196444 2238590287 2782706177 2134461502 1925012650 1531294096 1678314921 1757134322 1223269092 1159069691 1556952674 1473083220 1518931478 1225939177 1548344796 1413463751 1689559967 1274049192 1758109664 1487651922 1666583298 1555076932 1456942361 1513005823 1770629730 1320887565 1440507683 1776495479 2063400525 1244716137 1503453933 887399102 2047137569 1572817487 1605922376 1365040736 1564686512 1580855462 1587286419 2239657640 1789922867 1506019531 1695658753 1444841498 1455348886 1287634869 1852494628 1934739936 1457592124 1789935333 1705339697 2408310219 1172583140 1858400739 2041482613 1796766399 1596904185 2036051250 1767421082 1966945614 2226235112 1383235044 1723633158 2243028734 1665293997
xanthurenate 523634 133239 52990 217652 232099 53025 121234 284204 37706 76910 85130 166754 94890 105114 139785 83369 134788 300696 62086 102194 54379 55663 200955 27720 145853 43953 76065 104204 345958 53690 125748 256696 141895 278324 119506 133216 230113 58921 184277 150204 186404 115160 147786 146045 43926 32290 38077 79840 71047 174226 264147 97175 107236 242915 38104 368188 104261 184514 45852 45971 39903 29590 178531 151926 204136 31569 44189 142317 82121 110751 180748 200092 127547 55197 96924 89043 97391 376383 1030245 131864 259006 501376 546802 424837 296398 639296 570446 774149 488607 375336 724484 267217 303558 416614 1737024 911659 514640 1356425 818836 1215503 623772 1485605 460066 1202686 781699 278183 628018 943663 386566 365744 193457 362183 777775 481132 866327 216908 404022 212603 266417 288991 719259 395655 364865 272909 770190 503526 946001 654765 722265 828622 1186470 96642 615651 308597 288838 313098 676611 376355 466731 349500 602577 460411 305811 656380 727967 474534 613113 358693 904834 503516 554619 612678 215101 589663 467804 981230 323185 509720 535356 699490 797997 160535 945427 310965 944200
methionine sulfoxide 14778363 12217552 8020929 12605500 9806035 14803819 18043726 13651185 14536647 13685780 7970542 8242126 8825964 16350681 16766367 7204009 17517976 8629033 10080016 10537118 7335764 11757003 10864981 6754236 11232261 4593474 12285467 7669464 7648990 9689237 4623512 11109014 8620622 5400239 11856863 9189561 6145896 4050153 6396774 6492126 16967253 6009737 7412337 11131544 14793136 15482729 15664672 13187456 13996571 11137326 9543254 9906816 13876858 7906072 9330266 9923825 9054474 7069438 18972833 8166750 10668509 12107116 10863441 12818994 15321730 8009719 13218290 12902397 9313170 7222022 7338094 15674930 12071934 10264548 12265346 14867874 9033301 8422620 7536452 5356817 9368220 16727430 9784011 9133479 13857003 9904927 13747144 7062404 4664488 17031682 7701764 17563226 10442968 10840986 16394735 7738783 6427811 4373933 6591561 8533178 8639936 7801463 11294302 6957644 11686480 7129244 7920784 6117667 6546434 5854795 6980911 9939610 10857301 8723149 6739898 6968588 4114536 4349040 4037852 8717482 4111662 12625455 5153417 7667103 7313326 8232995 12076150 7587038 7455900 10619077 4877390 15332140 10428800 12979364 14198670 10263286 5710475 15937574 5620986 16487804 13901470 13010529 26684811 5786727 15039450 9814395 17707740 11560044 7138911 16388469 7777342 10650481 6250847 5485528 10527445 4010638 6822819 5018025 6981958 4759569 6108227 10035686 16942040 17756756 4306052 5425541 7824143 7839784 6031415 15790396 9409619 7240786 8225129 13426588 27358819 7324664 10904101 8677519 11225387 6521451 5885693 7885007 6834579 9033810 8667075 8758606 5255907 5389042 4949675 5073452 8243170 13105044 11542099 5656312 5877219 5039095 7547178 10729305 6224246 11394993 16473561 9941862 12912082 16592667 14412819 24778345 11538077 11243649 13028971
3-methylhistidine 243749030 138683856 78527001 63403028 31731099 24985526 30329010 43004109 241901206 17697623 154942787 23596482 41439671 39318766 114177264 35626520 390072327 50872004 8784060 91326711 27955569 55143444 28349733 65866554 38188939 26178973 26841354 101817645 47499488 103291926 35759295 52798744 44701734 44421294 39483899 42603223 18865267 26277554 17189808 24344559 99011079 5498731 18823904 42413043 38892981 33149192 43585328 151122953 109849078 290954511 77103852 35923480 16332898 74961627 31946630 41332334 72592735 41741954 265955686 71373654 35400574 76004917 35693513 50134358 36302653 38404271 82835918 27926022 65137801 53501701 23798575 43177505 47778328 34954321 43641097 55135308 63459422 29123377 47649561 47069307 108933702 56395436 141768481 69908820 54662381 44991011 86863727 18952142 24738446 34848117 97988173 644254909 302160824 80631394 76857920 51437548 29190973 14856936 73199115 20939785 42382517 33788998 48567652 27845014 61025492 34317627 31202318 47295419 29254754 27104385 62985234 45023263 34842496 92599006 47926992 62800952 20892906 30783387 12850848 152725470 131340999 256127629 96728631 289926510 74600018 92996593 245526849 16014907 623552715 276141857 154733070 112117698 179972151 92106643 332232476 131224823 112523403 159877135 300480643 147825287 89668587 888371718 609366197 505103732 347222948 171831992 629401986 1051954417 627043824 127672964 39117166 35272305 90188752 51976216 67434047 84603569 203661135 201288976 121126406 342359133 124624449 224177711 7395071 130167466 88400459 81542533 229284727 135079986 784985122 92972995 84507680 388361682 562578979 782378154 159219209 317044549 487494694 369888543 113864455 128577629 95522669 76286430 90966687 82010065 123638422 577920036 269785588 90904004 5345336 109365264 92458673 120558300 190727751 110628668 106889316 131094136 420016364 671921258 170851400 131599316 540193529 122564732 180546721 284022213 666032010 261743741 166387819 78184476 203763015 382229760
5-hydroxylysine 4821318 2108670 1693910 2578147 1799005 6610173 5208238 1296287 959686 2864649 3124512 1529588 1130022 2956503 3761167 1828810 1791599 1463429 3283647 1295943 2778602 5167924 3250208 4345142 1187054 1993358 2435194 2068207 1034640 4059089 2830897 3363254 2496618 1429651 1386799 1925919 1955650 872173 2017319 2133841 6454551 1104129 2602721 2613081 3246167 2014874 1050308 1653947 2358264 4991613 2553396 2010400 3036464 1542812 1623995 1362912 1749386 2973589 1471835 2166843 3330035 2809340 1990859 3052646 1772768 1576692 1857825 1541408 3666272 2945148 1304929 1460137 3168816 1929461 2147116 2046135 2050297 1820471 1222453 1158746 1654132 2678007 2073192 1909143 2528730 2168411 2253538 1654069 1309151 2634762 1968470 18177393 4305893 2139103 9545342 2589706 1465534 993533 1471109 2104010 2263008 3587122 3477853 2139993 1122996 2052896 1852242 1839026 2126136 1728026 1147844 2811010 3320481 1756358 2814368 1620618 1929992 1539167 1357327 2481042 7576967 7324113 4699352 6430070 3892946 5104876 14863297 1367811 7870955 3203893 4054550 2710174 5824576 6789316 4797103 12850246 3541518 3087325 10191201 5594277 4393706 12987689 20916164 8834560 3550167 5482551 6578784 11036412 7478687 3011857 9831650 3566321 6728434 3701938 2992833 3590762 2014888 4694246 2377736 6018816 1940514 4524537 4046523 8724158 3679257 2611695 4002091 4416797 3865553 3000014 3526945 2531491 842931 8860238 4985338 4609995 2692435 7066547 5337843 6102389 7148395 4377393 4354584 3178791 5434998 10243953 3909479 2999221 1655035 1602274 1681197 4123009 4873698 3676720 4424996 3452659 1787269 5676948 3086420 5653490 7412320 3623240 4200283 6797160 9114180 11154787 3438699 4266726 4693163 4138698
4-guanidinobutanoate 1458805 731443 324018 1006009 413019 964048 653153 1022980 591083 1688130 537460 898613 445945 608771 1840129 747486 1447226 864427 1453665 564353 316530 258227 1270329 502178 481214 257457 342039 306926 111753 239664 379305 260750 291088 240859 320450 308154 81314 153934 304424 1489026 294157 644890 1133641 1514154 678598 524426 1134715 1264844 1825899 798501 609485 1469607 472031 926033 534081 1912214 769887 848937 340899 925752 380664 309800 667946 500424 287460 350979 347449 411458 187800 227104 843836 366932 363154 386794 344164 445846 267024 276210 370111 346028 1243714 446316 1860103 737193 812126 895972 556950 426106 656217 426028 802945 2004203 378168 2366414 795251 729597 418941 298433 1077888 196976 317648 243929 443495 339432 392414 481778 338629 313176 271840 1205364 548654 356436 264664 317258 234252 451458 428479 405734 464910 1114534 3462572 827679 763695 1211503 2438924 2121924 3077144 1292862 3840618 801627 5231519 5766445 6476851 5136656 2370096 1240477 6562225 1461221 3296250 1777023 7415036 1989840 1036717 3840004 2637150 4191005 2785569 1394549 1007924 729170 2506717 2124085 1450011 1976681 751851 2203643 1668259 1624200 513470 2917684 2105521 2993286 1458520 963189 1314540 1477915 1790800 1282992 1952067 1070867 1725315 3843465 1758569 5904107 1414073 2559147 1837003 4761216 1023540 1311569 2434318 1072717 2950837 796246 2558655 1277240 791913 654512 745810 2110612 2454533 3173591 1014584 1225505 1231215 2596945 993320 1620741 2714259 4653565 1508089 4023117 3987022 1798985 1524953 2815352 2511673 2680080
glycerol 3-phosphate 392722 56607 242509 552319 304137 190962 207155 317145 441068 208827 352704 164189 321978 128450 299159 255222 265817 211268 276582 197555 191195 84005 433175 200221 220389 52315 184287 86598 299895 308731 184074 296516 131830 127494 199002 584454 226366 165319 187379 226933 205320 167202 315167 838474 172922 320115 346725 236078 131332 409430 343873 187021 268072 87507 233315 83878 145214 278864 168986 339970 347901 250764 119169 253361 161384 163870 294523 256629 191531 358486 302144 380011 189575 257210 332370 190446 372635 342793 238387 279064 248064 289516 444990 128308 487485 322714 630582 255479 627377 99415 429598 203716 234968 703473 316489 455612 261726 417233 526576 373085 553222 109393 310951 185040 266544 201886 294915 321903 164715 299457 435575 305667 342853 365758 420891 385672 403977 604903 166461 60257 220391 386147 211797 513068 398358 271754 495958 342699 441988 162425 330641 217813 191383 333658 276580 424996 206317 743264 415379 351164 336364 259408 476817 320464 314317 314137 443296 296768 196203 157988 316435 214165 402092 281802 278143 181646 179608 127805 766152
imidazole lactate 2986596 2045811 2183040 1192074 2706405 1623526 1627000 4266281 3216717 1922581 3119499 3878639 2976460 4049562 3191183 1914279 2475512 2636245 1866078 2361504 1948317 1569096 2204903 2082407 1872604 1890453 2721655 4425730 2044811 3743194 2628009 1918469 2605024 2374272 5014129 2264529 1519185 3832908 2273349 3562265 2077097 1706229 1934831 1565051 6150971 1901374 2664518 2211988 4055622 3726139 5915923 1268462 1843532 2113739 3559624 3193722 2156862 1838501 3574620 2175040 2001925 3741042 3375271 3709307 4862253 4247859 2820045 3280479 2512923 4702965 2598169 5387513 3248865 3982063 3286900 3689657 5880069 2400682 3548594 1905387 4038130 1751928 2422517 1859400 1678936 2219598 2232698 2991788 1747149 4112657 1670864 1616699 3837296 4286831 2701548 1344164 1955916 2473788 2974529 2993628 2055630 2645441 2817476 4839488 3416432 4882714 2819700 1956384 2303634 2370780 4015230 6064722 2103108 1778623 3021313 3099908 1482541 2480377 2230811 3724642 5379906 6288624 3240623 4694780 5803226 4932200 6886921 763326 8958041 7530052 6171420 5728460 4481685 6414473 6064490 6680281 11258453 7753278 6982711 3872060 6193302 5955968 7088698 8169476 9554577 9895291 7408999 14513851 8649693 4795323 5436566 3650945 7802557 6590180 5722746 3854729 6337132 12730175 8874578 11847604 5448021 18874355 2844281 2960124 6241882 7331393 11541650 6337899 8639384 7503851 5813217 8993832 16644552 7304811 9917776 12233352 3357098 5095654 6217045 6295954 3951623 4842099 3016850 5261157 7600028 4273078 7748200 5685282 6262068 9264395 11563017 3418927 4011752 5345668 4721060 7630294 9459825 4044213 4730937 5993195 6552233 5801463 7681826 8961412 6964767 9168129 2720123 5567779 7843321 5580151
kynurenine 25315950 26189633 10938528 11326706 11787823 9998520 21736423 16096811 8994427 14337461 27195416 11162236 13274988 8547578 21596237 10421604 14893381 16207067 10902842 18382806 12320812 13573167 12640343 21544725 17499583 10671252 6853936 12978461 10634353 24343725 13574796 17043990 12315239 7463833 12575183 13570966 8613776 8597437 12231402 9057661 11800982 8294317 15035134 17932470 10286835 13034579 9004722 10487513 22179701 16780727 17544496 15145132 15667099 14571458 13417566 13564050 22632955 16606381 13576171 43654452 18143188 25097751 14932646 31757250 11695748 20267418 20897456 10065111 18864312 18532354 10288816 15648560 12737236 13720405 12720218 15807248 12966323 6703102 10305790 14593258 5495042 12505964 8309387 15681342 13950090 10101442 11099754 11141864 8527450 7261027 5934203 43496239 13104344 10789500 27611727 10791237 10864538 8447664 9393713 10520677 9704083 11671701 8623159 6225197 15980178 9519385 9321977 10131597 14867069 11206504 9901735 18389202 11343544 15292560 15080948 14766556 8870674 11436974 8625823 9328593 33689727 34985021 32842398 37719598 29028357 32924216 32473409 7021244 160516409 47395134 74864076 35409008 35286916 56496927 73957949 62026878 32343078 32618665 57229066 35762332 43488380 64211094 53660781 45611571 39691598 64794990 46959785 61829121 37940521 29395466 32817494 27343148 44009455 22570882 16518928 23991754 27604374 36111976 27262317 30572504 37203032 29484146 30697092 25647778 26529667 28135116 22918488 32249934 26296091 30768186 42806227 30770659 66075144 36615042 32291343 50985920 10092450 24529384 50765172 19888979 56069592 44913084 35864734 34983431 24700892 30866750 31907130 24041515 31578296 29960365 20360459 47032559 58270507 49140451 37877193 36770119 26670372 36926899 23242749 44451324 43820565 22574900 44568660 33183251 41697120 38535467 15135659 26130022 62061214 35307902
glycerophosphorylcholine (GPC) 79899383 70035694 128581199 71656404 88477350 92154575 49453713 46038268 81232165 119527514 107315388 99935120 60226258 125532154 72542991 53626048 103675260 104195047 116122612 93289472 48456621 34081707 21435293 21966921 38749579 28592045 41389840 41686668 39584170 37062645 17124357 39244320 31024737 52652702 53854474 35583020 50961435 20005761 71240118 36324507 68980414 46580053 66438437 42814003 96026351 46227276 65406879 72070899 79002251 69707512 88506023 79828513 90999184 108263439 70314806 51538553 63111361 64113743 98237224 61881239 31580047 36409078 26144704 69054590 67456852 35162451 64979544 56938099 44696987 39497435 44261899 65319002 55181755 53505060 54932662 70269280 46366528 32661282 47646116 32665897 80313522 84888533 207354386 63558286 106291660 89788493 88871267 50317137 62596662 98784318 37800044 62519135 90110773 100950393 58656332 76221790 78287799 41994352 55583522 95619866 30386047 32515447 46838036 32217632 61534553 29179616 25155051 63037235 82820613 20260679 47095567 73074213 44643948 45562589 36749377 49871721 96438596 21425555 49695307 54119881 29987517 32494537 23504897 29332958 28620198 42629802 43398633 5350738 31922658 43537194 18992947 30704542 53741560 34467678 33537208 53801185 26527123 28644262 17918694 18633978 34432738 31545143 25549500 34495021 24190372 22927014 30165244 22342945 24607674 37497010 42164587 22102025 50074931 72819991 29011202 49028588 42061594 76439716 51736316 29347946 32604010 49098823 22443078 51999571 38295216 31105755 88216378 20094635 38238908 28925769 24528675 24129574 35787120 39088492 16654872 29232495 15039176 19502933 19124722 36844667 23053335 30392469 31842390 30576310 57522699 34469988 39907667 28646830 36586678 35520940 26047607 98746472 91338636 40447328 49140939 41266113 38947060 20862497 31579986 22908548 24941902 29756542 31442856 28346733 34328565 23042088 23489445 27008869 34778691 27209303
theophylline 1009033 433240 492077 133532 931590 1213277 5505953 1100280 1576328 470980 384185 859868 659240 846649 246309 268752 397155 553838 508005 158314 682494 1231012 118895 382538 447684 1417080 194750 1226489 700333 660014 1936721 928667 1867889 332303 350422 240558 558584 53021 1379661 254968 146153 203813 726659 190731 342693 145998 427571 377620 370975 190154 755460 993807 227759 1470837 399180 1358902 361099 2995960 839712 329687 2664224 144018 70998 236755 101488 380129 45233 379142 5130460 714692 237674 156921 63511 545242 253743 1698828 817109 2928443 1785963 439094 3427538 783138 7948837 1175038 5780163 1351203 1360358 7681435 2627350 628619 9960872 1449714 3586745 2475937 2699509 1403035 3563591 396943 428496 758135 4213919 1161534 943766 2492633 11109953 1291260 1317612 1192274 696005 1105600 5984717 1622534 3026749 3336570 3427261 362890 910876 1891603 5434970 1034216 1099773 4930403 1110005 5601861 6811267 3204308 1674104 5854174 390515 1586167 4218999 2160717 1203263 942896 585681 855616 3886472 1002506 1258955
theobromine 12994556 48118904 229581 32863909 422488 2928119 27703997 5739933 19086890 578477 35828833 18564444 588168 68278028 9149431 465495 8381972 5979621 13159301 1648441 221349 952371 341621 244285 455361 614530 459541 194699 616645 319504 2108304 830141 383475 1268625 16464612 25994455 4546175 9773933 3147188 25831686 3487033 18375680 19239052 535535 520035 18699590 14350346 21530734 1605466 2178398 61416 869094 441651 343363 428626 583616 5645335 3664963 402287 1098538 2011259 445642 591862 2010316 2038881 1747424 7649960 12450091 13793946 3371002 14515789 1269347 1998364 1532472 650600 4605930 20425665 25002856 15203679 2454235 3195031 1976531 289306 800716 5703859 193233 378511 4484120 2616368 4432955 1543416 14238984 1133244 1631545 806752 211291 9521174 263765 298379 5152000 33060277 110970233 151162450 168179442 145114309 25635662 227626706 50910777 223724780 35676102 865592 199997801 63807565 157228625 50898548 69253430 103809070 1949555 181368275 64060215 3994838 42189480 14591206 98595725 26601030 106206608 24893752 34834645 159210932 1599920 360367603 49446874 96023134 75748600 37075016 30157932 72282985 144315917 165320547 109263870 38681195 95672826 24146129 8309247 12542932 42754033 50125033 85406312 229672127 82928148 114400653 52871824 45175981 71907461 10185016 132174707 3300422 9751227 527374078 106754707 62629021 34301478 137591976 119631160 183737335 564864 132317177 136739624 40542857 32112415 9708262 59315005 57902480 97906999 16824200 159117078 3163928 175751555 42815491 2766610 41118050 43155363 141850129 190037016 9303086
gamma-glutamylphenylalanine 613465 294307 230006 312838 146585 244960 574034 624333 199837 287933 453611 256696 242102 405834 468287 180013 286668 159551 284710 490922 175167 197400 258959 236855 336823 168124 211137 607307 240464 444395 266844 316462 311142 308852 271205 195519 542563 96153 208890 217706 428997 121668 211108 215169 421676 291188 262570 231618 562987 481114 189463 364327 300401 170184 341860 179310 315931 319938 447181 374049 146660 278109 343326 371436 109840 258188 382751 309494 282809 472286 221207 396804 328978 245661 330204 237695 461598 322662 326735 333294 299939 673565 276216 306762 312646 439515 368210 255127 169396 378258 200848 860116 455330 265633 470827 171338 154497 237978 274283 346326 271939 123494 244281 182057 321781 192233 189053 223255 179951 174543 237691 440582 357072 332039 237181 261624 128405 152563 110853 222541 573777 903331 461647 641371 650515 761130 721326 144166 1149097 656599 1363030 481376 733889 1096320 915448 442761 440135 1339905 1015449 1251648 1056194 626944 972709 733013 1122772 530109 673313 814554 509218 334046 450504 560551 498369 413208 407733 444897 449514 368721 653628 381573 474119 348431 719602 517627 368177 296185 432937 657456 346625 794537 605577 648106 572662 767930 816527 247290 694139 528888 572927 747990 568286 264220 547536 761203 539005 375538 407231 397426 479201 349016 526895 501128 596558 552101 455809 685079 886704 543980 574095 780103 544188 691452 602305 460103 814433 341664 652788 541778 627545
hexanoylcarnitine (C6) 1643149 1008084 797315 1540910 329056 1347490 1147188 1110694 727393 1434484 2171020 916918 1775593 543620 686285 1438743 674220 883396 1157023 2385923 2285996 2204376 2645318 2415377 753938 2523074 1827462 2035569 1558380 2293378 2249282 2049559 3830512 992783 1068018 838489 2004510 894883 1085389 1878561 1232805 205025 1069064 1426373 659406 3009474 909118 658751 1421917 1136284 1158558 2780999 1447118 947527 1502910 1833519 826367 1324232 1328518 1291947 1498455 3105306 3357186 1874644 1179740 984999 1304517 798263 1631834 1827911 1738303 1041983 1973617 2536673 2187562 771791 3611640 1559082 1309459 1576251 2055805 794269 810980 689341 611187 438630 800591 2010028 1122156 603331 917482 1105344 1042329 877313 1497634 2136824 624594 1351319 1925770 890657 3043195 2049476 2128901 1974181 1132010 2206715 1676661 900938 1809962 1759263 1316813 1664278 2532380 1483644 2579791 817580 1442281 4029961 835610 1460571 7302065 9129229 5181365 9240317 8817458 10888565 3664457 668177 8005845 3831406 5974778 8592692 4989691 4173823 4079043 3602739 8293423 6093233 3559624 7958835 3628713 4270902 3967688 7164351 5482138 5450664 3219021 13475583 8127759 2866856 2688605 6602342 3608898 2733310 2108645 2655279 3648318 3749415 3296210 5516398 3889877 2664228 4225595 3218302 1360241 3724825 3396781 5565920 3564146 2228643 2099271 2321419 2716735 2796690 3751666 3591263 514144 6031924 5351123 1098955 4535838 4178905 3828154 3741646 5088238 11545056 3023619 2384485 4358233 2764308 5709496 13726346 2367688 3455920 7112735 4732089 5109282 2757707 7404577 1681638 2149105 791471 3974731 2810957 3496963 8088788 1814321 2817607 5078210 1949638
acetylcarnitine (C2) 236414900 179545908 127516282 204391282 169294709 194330421 164589585 171838586 167902460 183632151 281727017 110062487 220214028 118576395 147483002 178446227 162284565 174799115 125772952 283565300 354619366 400266162 530429603 704372996 97168908 421752866 331642256 270563425 402165276 415244733 347615369 309327595 395383366 236561849 283038393 201839182 309245099 222782071 237408302 395310411 165752344 56675202 135788070 282694581 124055710 403421846 166328769 161007542 226296621 166347521 124042821 397476852 204187510 150189682 221245987 249660724 204150507 210955247 165726932 193602432 205440800 395431595 401649580 302235537 157020021 184769753 221129832 149561009 280157995 246177053 308062824 159900185 285607255 289315869 490958246 126736517 400252771 299789786 191906118 268911667 213066511 146863776 106239935 188782645 117202506 108996804 168276862 258340851 152714527 117973278 144409871 223712486 152765123 150123236 221284009 315312763 111692061 343198137 401598598 153688116 466608446 342745414 428411470 472149252 285579814 366614565 633947652 141687873 252787846 426510602 215366654 262053520 455908114 239947324 382945313 206609205 185160207 319616203 131211723 269174481 1342390323 890652999 777047837 730793353 593845122 1134157531 650571872 164846661 827450439 635075803 550148899 886718428 576964661 701059189 623830415 564476512 866168067 656420411 515669928 714239702 467334237 804477252 606927253 774203285 892249896 649985158 808832649 1168307040 751437480 434504979 702416584 895401453 767487326 526314952 409427751 609816826 1009560478 483831229 403630279 803113285 715363759 477015845 530471037 585679086 531938062 721664452 607748294 691637602 559108411 461726650 387765440 458053631 349662791 626274989 444940891 544105061 312129681 630027371 605924376 418310776 765480029 664337635 793706467 562807398 875949232 1013979600 497967670 471908884 632396166 1034674312 765114143 1562324862 579798574 444273429 929793768 666713148 748127044 457185290 780162790 526652301 540160373 367832185 745997661 590755126 659789231 792232888 430066748 430613037 822832865 449901460
cysteine s-sulfate 863376 844867 655951 874143 2162039 2481417 3034783 2559193 1579922 743087 517018 710869 2846679 789428 754470 1835122 1255719 2573582 280144 1534837 1586812 1226096 540334 4599020 1590774 2013651 980174 3196454 1244811 1321379 3681485 1280017 637148 799343 398637 614388 1387069 1029850 3593416 1040819 538365 368239 932950 374241 1175738 1506160 598615 1240723 2477162 603050 800448 712960 795104 734961 507182 2523088 2097175 3898644 1014117 884912 1045413 712497 868596 1622989 780024 1397196 1493935 826666 4935828 1347664 1237414 742813 445829 459735 653363 666628 1447964 718302 1005818 2972368 736817 820109 647402 2348837 713831 2473210 5501012 2265316 1942568 753054 431342 1080656 868754 741622 1199848 1057228 1374856 4544610 1983103 678008 1011874 2228158 1130302 1430439 1167504 1522209 722294 2555395 971138 1535335 1834371 660006 622189 1504839 1623261 456249 811162 591235 5993231 734866 602925 1019351 5478105 3079383 1206794 1034258 929656 2567343 726052 1041797 1178817 751270 4159469 888472 1618856 1707148 1142912 305741 799066 1098347 222281 1585683 2524103 997738 475375 1222465 1400672 1120179 1203490 1501077 1074570 683544 1776081 854440 1072386 740994 985713 3290511 1026424 1560711 1107474 1705401 1301439 979541 990643 2009894 435636 816811 914121 1213403 2828770 1947081 602958 2209727 896760 553878 1488455 969551 845391 3388230 354472 1865598 590400 1060238 1035049 2269891 1241626 887322 1075098 465851 347275 1119255 4143493 499346 1189309 849407 357696 1434782 235139 1071794 769724 2016245 419791 1750690 1430483 489135 1140554 363437
iminodiacetate (IDA) 69003459 73888086 65215560 41513586 52427422 66256896 49398863 78141288 39997805 61398092 89090462 56067149 57841719 58485624 68350017 52848315 71651819 46098561 2194824 60138583 134541088 144174396 134211527 196512793 100403984 215463781 125512299 132094529 78486266 191052596 244268176 123777291 138014065 59037978 91296057 80162390 137647452 246527002 81560662 104101858 83416857 44523104 64517042 54289017 77838223 73727476 65267399 63198130 52075849 61563837 75491901 78794713 66622443 61358728 69670547 62286336 68364146 60176910 73073386 99176427 208122312 169560668 91216793 164908698 105462215 230854786 130811605 78536832 124309722 144845043 145193230 147055744 127020658 105539013 101785728 101642858 79601802 173138171 202555202 72525509 84527090 64867408 72846064 73156098 78817191 47225550 82624688 51957769 33112748 58789519 41179795 95163217 54357225 65133530 49612157 65552786 30769626 145653326 50127284 76663995 151108012 190688247 226710364 121653422 111072394 148693858 95922796 82291223 120422805 251334281 139388140 110425037 136738470 151459988 155786026 111139584 42502968 208267193 316979301 131665269 108368663 81847833 128436271 53743211 83159080 123746715 128976905 2319814 190877628 125980675 107797316 237150025 134487929 207925960 185659079 88925037 147854235 136974120 157189012 190006693 522442161 139057085 181874370 313605043 923988518 361314494 232927675 459536636 264910392 405171354 80509205 112521467 153083487 138655522 82498360 149473728 116440708 150826021 165095129 93637273 140690379 73327153 114149243 173052603 144090127 129929351 78274020 412264758 348442746 148402971 370287276 163770993 791473951 673598192 234677595 254971063 121046902 249814780 257342549 314279210 184497701 62407096 82098580 72814334 104914170 142345287 96110412 179387338 97898447 109463249 104618219 169153692 172469387 189206088 51366330 63449306 49015012 144977059 149644085 522478153 157234383 155402250 277304529 420089159 266766038 214648109 215644444 187941275 280182045 47235127
homoarginine 13852237 16550540 18480796 7539942 12763081 8207390 10574881 17326197 9682433 8666054 16437865 4083469 13708925 8739749 15120216 7109433 9235833 16280513 6364332 13423167 6651778 11913696 9079797 6540655 7396261 6885549 19445619 20412361 9803041 15942840 4506420 18433875 11464163 19105180 15971625 11269149 3684708 17158069 8786104 3576921 17588409 3905043 7529249 11989459 13238117 4935484 14085366 9301117 17894073 5444548 12422764 7713023 8454034 20137594 7573020 12739912 14569531 9881492 20649372 8134857 6951433 11809823 3507979 15629973 22070050 25584460 18555710 15995432 8508790 9336737 17315573 15714756 6407759 8552474 28068034 24284700 10039661 3788505 11909114 7648667 8130295 14446070 10858359 8704393 8136521 7990606 9059487 7591079 4991233 8821683 7152491 14872283 5191899 11665528 17503595 5941660 8383411 3973412 12109331 5000589 10826542 7278192 13257719 6169708 20022276 7481061 13676205 4724785 6951342 5370622 16009368 17137769 11061233 22539802 6199793 23383930 4704331 5239154 8064507 9752871 12562234 25444131 8647334 20854340 17931413 19241486 36981912 2341825 28607899 27664085 12724892 44242465 29342177 20729457 26159993 16282539 20259072 33114977 29045840 30282363 39977054 28103701 27192763 86264669 33483745 67177430 53826042 50236470 36325676 41700599 16719346 13782185 14968788 10708548 9754464 18559852 17816147 27641550 34629220 29680431 25923887 44897438 7284175 16668934 14979493 17758393 32086864 35047356 46256446 36528623 38120909 71490641 28776333 36635720 26348535 64527941 22366128 26893807 35238044 27818753 18931050 16044896 26903913 18672179 24980350 16800910 52529897 26980244 32955292 19754901 27830464 19578757 23568006 21397644 26466578 16158384 29745438 24370690 54086447 28395711 29037945 13529229 37807050 34390626 32805684 24000511 24285247 27622640 29899054 48955360
homocitrulline 315673 95827 177359 254993 229040 303729 263673 483899 528933 115974 437861 88702 226984 229031 124438 129224 401526 198111 264324 264261 417455 227026 434035 201251 94536 182025 110089 323182 223515 208312 140373 361910 257752 273969 94221 273231 66428 127056 556491 129101 1262136 268997 209039 97064 290982 686825 548472 332265 257280 132415 108303 125979 109177 288786 581196 219664 114886 195671 496482 327592 331215 191390 189517 285832 106333 229523 132282 69105 131645 278107 232629 304596 282465 541115 282156 388170 496184 274856 176486 161781 392052 118308 74222 408695 151913 112115 149972 295206 434710 452796 344012 331805 80390 210860 184905 732296 161436 202225 273629 275064 376701 256357 239647 127288 187913 181541 255239 256598 109800 158220 394392 115999 216788 85281 96794 178577 767621 215865 231856 170898 271424 306261 259645 325228 219917 123485 350584 330299 342726 1148120 329914 166557 85950 560317 241490 510478 652324 299468 297079 398093 1192966 287856 313784 169173 189893 447006 85619 176303 201868 590704 283367 273424 561228 178764 501785 319955 185194 125237 152770 236560 369195 239666 352851 757211 442183 290800 204883 77579 219939 238754 229431 421600 156134 1362326 277294 431557 249900 204520 114276 261009 608736 233274 518651 331224 2283027 606737 232320 256616 594561 643867 1047373 539648 279790 534974 210681 119163 166251 656510 351953
N-acetylglycine 2154299 1473644 2849436 1212802 1592802 1859974 1860456 1698080 2167130 2636348 3160586 1458539 3099070 2699427 1812449 1549750 1887697 2307129 2785672 3028235 899505 5687355 1951532 4560110 3835775 1825124 3978141 2765884 1961435 5490599 1687162 2149647 1137840 2738882 4693179 2983726 3794187 1731132 3503020 1990611 2268047 1135628 2321652 6804915 2408735 3335963 2318043 3081848 3053090 1797908 1567628 3942577 2481915 2122370 2177473 3667462 2593354 2284592 2269501 2881593 2287032 3068023 7983847 2710171 4000782 3920476 5286098 1928025 2664995 3812018 3060744 2687686 3181992 4337770 2285622 3838291 3921759 2061102 2092647 4268371 3617433 1258147 5289207 2673980 1728693 1420316 1556058 3039173 2683195 2818417 1393519 4986143 1193092 2348593 1085734 2257288 1449470 1870180 4671373 1889484 1694262 3161737 3354695 3527308 4158441 1647632 4115564 1248892 4610095 3742814 3022643 4436632 3229745 3457603 4544065 2568176 6065304 1633084 4003383 1199185 3979036 4553001 5672367 5077805 5662793 12576638 4939075 8498015 4454983 4954038 4438870 4208465 2680175 3551285 3709800 4061209 3688929 5886365 3382679 4234418 3701539 5915143 3016236 3905819 3536344 3971532 3142666 10414317 5044376 3426982 5573280 9862482 4093304 3871995 2126269 2657068 7999854 2877495 6166233 5081578 4591905 3021865 3326172 3761497 2628077 6518155 3537591 4821137 3956863 4694412 3191955 2587206 7002253 5145362 3987806 1674425 1714745 5185764 4562153 2638589 2874623 5905527 9739298 4511332 3282645 11669151 3046248 3915000 5220568 4983073 6987706 9834989 4127806 6094964 2399224 8039787 5642141 3029769 6115665 2732862 7813144 2403570 6886337 3691221 4928419 2573457 2579540 2881624 10433824 3243790
1-methylhistidine 20602578 11747965 7061544 7819630 5824063 5363967 4109852 15307598 14017338 6000303 18883830 9062431 11571839 8691656 12322059 8930937 12706665 12832337 17450276 23621596 8438182 12879547 11671977 10989455 16533661 5733536 9852596 11540867 9617784 16831007 8891219 12709557 6895556 9165367 9553726 11050310 10987640 11428899 4733843 6290416 11707398 3585750 7211131 8784000 12306843 7091829 11831898 12132443 24848178 10203859 11192648 6251080 7134188 10823442 6597946 13328287 11320912 9191602 15354555 11857662 8943118 15791991 12928676 16318399 13962713 8816922 24465874 13195978 9902588 16224526 9817965 17678513 10459465 8047392 10749580 13502998 11075662 8366125 10660214 16272195 8019130 9031680 8396362 7029483 4581326 5900258 7869967 5799220 8887784 11668648 9925097 28424547 13176678 10390059 18498244 7483749 5964866 4584799 9435894 5445935 13512729 10438736 9934237 7666020 20534912 7911782 7440802 9037150 11571486 5961827 14076472 24162534 12968449 10473341 13000417 15340487 5798267 9575192 5667854 10892119 19461257 44493663 17630401 27933801 39170919 17462175 37309020 4684565 59281185 45191563 27579296 28996883 32168970 8780538 10816560 24149943 1444501 45567037 61565314 49705527 23237905 61816542 59016399 64745698 51748269 25122920 47936764 74334303 56253703 29967992 19061635 21849480 31173103 17928975 24098203 37005018 55164565 29383377 38110497 65325199 36939924 51151022 16700599 20395003 17962518 32107588 39058836 43792198 37706400 38902219 45489084 611705 65861778 32058621 63615348 24822407 46141299 37343469 40333028 29161844 22645861 19440021 34953971 12734689 57618714 33201386 30930486 36263828 42590667 31309926 29196581 25280621 29732251 39120754 45293087 61833404 46372697 44377792 33880484 61229653 26329077 59471601 35448920 61117292 65059486 15893815 30593388 51803318 56431780
butyrylcarnitine (C4) 10720814 4083527 1919085 6323619 2571729 4344412 9819162 3565091 2663727 3307960 7000615 2619438 3314367 2309024 2314348 7888483 5169481 5255888 3944044 5523317 3176757 3887784 9384244 8127544 9132551 2560450 3583043 5174526 2509419 4958858 3148718 3769468 10264981 2151587 1882351 1701189 4514920 1684560 1529808 3274305 9287524 1246525 3648383 2326938 2645689 5795984 2585398 2638735 3651741 5726031 4590857 11393126 3553686 2071652 4333342 3973524 3055202 3800159 3952568 3979384 2575259 3945204 3664979 4349113 3380409 1516578 3183743 821273 2550768 4409980 2152596 2523777 4533403 3692249 2681036 3537749 3345574 2879320 2575235 2683974 6828308 6852050 4410752 2497323 4762220 2618241 3707262 4587946 3533781 2474866 2259796 2763286 6077887 2379721 3076886 3585351 2252305 8174585 9995781 2267226 5325957 2371063 1682174 1682754 2167257 5378814 2763376 4589629 2031291 3473369 1464182 2799878 3068877 4167560 3451362 4870161 1861499 3238284 1845011 3216428 11279585 9970291 28071392 8609321 8103315 8220586 9449397 950792 23940661 28735043 6512959 13083905 11962614 10532847 22266536 20846603 17932226 5638237 23722072 12075254 13967395 29464648 19183605 35221965 7272837 14040490 10090048 13598722 11147742 8242947 9755396 6815835 9048168 5516680 3802379 16292894 4892277 14230255 5189760 8225546 5547427 7251680 9080995 9226976 5012287 7256484 12103759 6877708 11710212 8100895 11372793 6907195 6101509 12120361 7684618 13739949 3211479 7678682 6991170 3799964 10798014 10964232 5757473 16741454 31027808 23189293 7672315 14461517 9193060 3624599 16283526 36310551 15300496 11094026 19858986 7994932 8319061 8783390 30610788 13517628 6888778 4174025 9820582 8588188 8480364 16544318 7479723 10418133 8550901 10527287
isobutyrylcarnitine (C4) 8909068 3150728 2864976 1923803 1092411 2250741 8623588 7840993 3242475 2387727 6942132 3416644 2042229 3411221 4732677 2479417 2861443 2041289 3052735 5060279 2636155 1385183 1345383 3076070 355585 700545 964267 1086996 851247 2107014 990935 1180046 1050112 574324 808206 1465746 864651 614997 1190747 1748188 4869873 1413290 2053376 3511315 5894239 4407583 1896072 4759322 5518599 26665702 3531538 2415188 2466249 3138607 1103895 2258489 1949362 2410300 5256185 2840585 852521 911885 2701528 2350483 612657 784269 1341277 252466 637316 1225831 429561 1221101 1488591 1012232 1510303 1286906 6692467 3494265 1063743 5679483 1786929 4291617 1654213 1743492 3456332 3886556 2868543 3768000 1496060 3999146 2932694 5878877 27348150 1540215 4657838 1725795 2785423 5156492 1390694 4280534 1253795 854061 523865 1050925 1907200 1232662 2719587 582891 511297 1488046 354741 1341597 1789307 1165126 873835 1286378 1322717 2109954 1788448 1191235 8249384 23992637 10254455 14245000 17242915 11118572 8843048 1659566 5139046 60831811 18441965 8832809 20366714 14130498 16685442 19497547 32572322 19539778 4768391 10841607 5544623 28755803 34159477 16744718 10006362 13605272 5084761 37354797 19305091 9634888 10285030 11784454 13049481 11115527 3584246 5826408 9398517 9952975 3169691 6095793 3408267 5772101 15501811 22064002 18345526 10259581 3844408 10498232 8446779 9319332 3874784 10208836 32188106 10545599 8509625 9074583 3392684 17550364 7231084 14390649 21036954 5342750 10833342 8735278 7712098 10332293 12468975 8057375 8945514 7128120 3612714 8281867 12889316 17241541 5310153 8353025 12921976 5725987 17913931 4093547 17919785 9941262 9697460 21923222 13324992 3387224 7298623 11545863 36726192 8323913
2-pyrrolidinone 784906 622527 646534 817875 504123 1279488 883873 565394 618199 679087 877151 656782 541536 598418 1038453 891818 672697 639810 717837 670435 1231575 652789 1350005 1041155 1321368 740848 449546 492406 490732 798599 499403 595638 630788 406524 1091403 435469 539434 610315 476801 819457 587224 449411 916092 615482 626472 881110 828388 823049 719107 1130517 440416 968852 705439 455283 549718 491343 593626 1147731 551555 960308 1011660 694177 1273843 867904 681220 449759 693659 689298 1122889 637116 572325 515633 901897 947518 781504 646648 842523 738159 576918 701639 696683 1072476 748332 612518 946281 620683 728559 813786 883864 755869 493381 754931 949779 1001846 744396 808349 442712 725691 869915 688136 613765 841824 770680 1253866 896276 794775 1797726 929049 3253106 772291 1013744 993854 674257 546308 872708 508329 878135 1382477 294017 530857 4883225 4388140 4175226 1656613 4415096 3272073 8002695 1445131 7641421 3061444 4868744 4347747 4883664 5906562 2680656 4339456 3318388 5252822 5618976 4898718 2682240 7377002 9947814 5861526 5280473 5118889 5815310 8442511 5491385 4707510 3981471 4146798 5618402 3259958 3818369 4865936 4508666 3035986 4894673 5030345 4364066 4440088 3817207 4146575 3938199 5903015 5090489 4723044 3186881 3971362 3531516 3203817 3145660 5726739 2662154 5274285 991487 3032755 2913166 4344515 6953391 4532799 3161198 2251576 3748017 5874416 4729243 3748671 4951629 5457310 6104319 12743892 10871857 6320218 5370729 2139602 5255723 5108627 2920423 5740987 7595350 5795209 3277996 5646785 6057554 4795433 1953455 4984090 5124377 6153183
trigonelline (N'-methylnicotinate) 4406261 2819618 5002683 1227626 23943029 2897468 606982 8096433 9338610 11793586 6544982 6435709 780667 2040755 2718018 687516 1036112 4093022 3455628 18193095 1153132 1066863 4809806 5368164 8670481 1138932 2318650 1324105 5568883 692921 2756008 781792 18179343 1541374 27129801 3378206 5992276 1145241 3545438 4566988 938450 7008052 12488217 10410431 6342129 23324363 13555271 10056707 22995139 236733 45651062 15077186 55006526 3297210 27199308 14988545 32466184 28260772 62618482 11498652 25116109 2291605 52117498 10556717 67136387 38837518 13176400 44566942 18272068 45502385 10738842 8256618 24090518 2741060 24679073 15297893 6352701 5562513 3531653 12489325 21657041 21523728 4364568 17139719 24478386 20899206 8370156 13387304 24136994 3983188 40005620 7259472 32555367 6026919 22345701 19691769 6737525 26350822 37443719 33750439 9404180 63527793 16576783 8319500 2017070 14893535 36682122 7240652 53517016 51227721 8732588 6261548 26802604 20385047 7405245 92008355 15842622 15362092 7085387 5571314 20687297 31491308 7453298 170809476 13609640 35028146 63352487 36605415 5540858 13892303 16221919 12843754
"glutamate, gamma-methyl ester" 8155608 64995 177365 82484 85560 141762 95773 122263 130474 2089574 78423 140964 89627 11597215 1435567 92121 292464 85581 1062079 112231 847698 175476 418189 275287 525776 171130 248462 138835 127846 181741 92903 79026 361112 67992 72991 109022 720357 7893258 121119 49865 479268 4269461 1385200 100205 110786 63653 151698 546674 13549230 362758 123014 105360 119236 110967 84799 11382040 111258 151092 67184 154918 223276 477939 59810 159652 160536 99302 245859 3286346 130232 2180721 179582 54098 167285 139765 445198 113202 948674 142032 307576 151054 177460 42407 148384 393038 223840 114561 121883 307803 259280 127913 498141 72045 688896 506957 447551 796310 888436 728707 696470 619110 501965 518419 1563049 1041971 976950 815349 825277 997331 667649 931223 1140627 508576 851252 822748 1178296 566833 543037 972507 465742 695683 589993 644630 764775 568280 479448 821628 367425 451243 729615 681095 693482 582846 800264 720432 713147 900201 748356 760592 747680 399699 722950 815849 549150 613310 558674 668728 526301 492099 515342 466354 763644 1434731 1049311 526353 511228 490816 929239 324823 323025 1406533 1058125 858915 846717 775652 425693 865992 895154
gamma-glutamylvaline 2942199 1314103 1329030 965920 982135 586703 2572306 2443109 1115313 858827 3602487 838534 1213409 1452267 2471650 664045 1519934 812834 615547 2696851 681660 1267633 826572 1173759 1105944 716098 882635 1794464 772443 2296211 677962 1449482 1211292 1056090 1030406 892460 1606811 645306 893040 926882 1437991 264729 1315983 1470008 1296219 931345 1183695 1107385 2160271 2220088 1063700 1198629 822745 1340985 1775917 1214338 1557760 954936 1263193 1465737 927639 1057549 1283836 1481664 877782 652546 1266886 1292413 1024560 1597280 962956 1003892 1309908 1129784 1190661 1244350 1481840 1146535 1301421 1344006 874046 2592436 1145822 1686781 1841177 1880319 1273465 693100 863578 972565 593563 1352856 2208064 985118 819597 772047 1158080 1065853 1239067 1385319 1719931 785671 738042 1147812 1576110 904719 1181072 610745 1065341 765824 1182442 1744530 1485442 1031432 1749893 1091753 590504 819775 717778 1062964 3328357 4426510 3489939 4598149 4136413 4315298 3760697 688297 4888238 5146336 7019591 2930458 8850713 2310883 6522722 5757342 2810953 4643498 9525549 6307782 8431852 9745449 6234467 7034796 4856390 8510595 5759857 7050964 6222198 3484626 3023575 5354526 3364187 4096549 2545655 2437263 3635306 3387710 2585272 5219116 2872100 2627096 1196269 4988057 3001497 4096672 3820297 4432904 4292212 1018405 6734818 3941922 6662607 4239599 6126852 6433733 2263020 4118634 4659384 3468833 5228183 4344073 4055566 3268531 6091293 5093706 1699643 2399403 2545740 3074096 2307514 4326385 5548718 4409796 5434587 4005477 4572590 4706359 4567995 4723567 5098306 2286337 6249860 4114247 3594747 5695336 2994048 4288642 6257824 4293711
propionylcarnitine (C3) 37172828 18674352 15265239 12492351 9797915 9808284 18961609 26859321 8624061 14258297 19441146 11231593 9133425 13863458 12244509 12523492 16655824 10659583 7346373 29795314 5136793 7560029 5815432 7991000 4280641 5482293 8184723 8093473 4123021 16067578 6365946 9333212 4539415 3346438 4778662 4517903 5339131 5200323 4786064 3059297 19678784 4530026 10552225 13675851 13669609 15846010 10862596 15359060 19083721 18665341 16043407 11804996 13966478 17600923 9101606 10016970 13659099 16726114 16807500 12406760 10649222 4913426 6645545 8724876 6362178 5700568 6499905 3018469 5016468 7984962 5271930 7416988 8481530 6969257 7116481 9119271 8496356 3896315 4453646 7634979 7551600 24003301 12939631 12362911 10048990 8545842 9313457 11874497 8492427 15432158 10870636 26945984 22173351 5741392 20900899 11306700 14568858 11218255 8076680 14709563 6811560 8094373 3525556 4791275 5512893 6837530 6462046 2576971 4436188 6725357 1835310 11190254 8735253 8855399 8376074 6551763 3671440 3533698 5084644 8075028 49987424 150515017 51499435 55761334 65909790 64607125 103060709 7403478 46952342 85788957 57497511 61863317 106308910 64085489 90809924 68972567 85059769 79769798 93354550 92748177 41495410 155136900 114263593 149370795 62517121 129685440 82483617 202119072 116699486 64472279 53731204 73160444 81870317 54667035 32705519 38844843 33546764 60551175 23919982 49156236 27263807 31752841 71102057 75051912 87044460 52887455 50552726 53678035 53800389 44272067 31173734 39362133 69910434 98071415 60042154 117863332 22176312 80301029 48180284 46944646 77323767 49667630 57547059 45644512 99318273 73903322 55552181 34938574 45139759 23860644 25717980 66667959 60477949 47437189 69225803 45135596 64602436 45365201 83589672 55067912 65273574 47767191 80761730 77754064 70558745 85002216 46093655 72326992 127588116 61370590
pro-hydroxy-pro 23927940 19282166 10440928 19926235 7190724 36411891 22295026 6832451 8004686 32885479 26370547 18576164 18346066 27866618 31629958 36192612 6354790 28503275 39825221 12583507 37096110 53475040 58014641 52572767 20180433 33119106 32575895 33061336 9876172 84687966 19319871 58178316 38238209 14547298 17955549 18597195 14958468 7631328 27934189 41086643 35090425 18650406 25252461 35951614 13748017 45122699 12046531 9170110 18226413 28392466 6757585 31720388 31178643 11024237 26620314 19523749 29392760 20494408 10433894 13118407 53763408 42867762 41733220 24107845 11857378 14769075 13526398 16448452 39480046 52547902 8343373 17782881 57151643 45734744 15068493 23277168 26307143 20193587 12362610 15709379 19529964 28670742 11405009 28783650 24781881 19557170 23165321 28107942 15052832 28801858 12044136 35420505 29627658 29967695 29196063 32558530 9311768 7209757 32200404 23828563 39503868 66604459 37190463 34132419 15572278 15514134 44674450 13248619 32197320 29472534 9357988 48910204 44873982 9827033 72586572 15910380 22563640 26707974 21052677 38087078 115359883 56614081 71900843 104856245 75363977 101432188 73110683 15106664 35402014 37670361 35132012 24236124 37032180 103649312 61742517 76709378 48969779 38847273 53052644 69982751 22270869 95969107 140000560 35324706 28843395 71967301 91034440 209372481 125504489 28280215 103609392 73867496 69495244 51374662 57215616 95606628 41659188 18160525 42082140 43500613 24902164 23793838 73487807 90257755 50632057 46945567 107034752 65192051 25779944 43556965 26577498 22508698 74727959 43995721 107103277 44503177 29030261 74562205 150998098 60230315 64380363 103238368 93077848 52872570 48790183 151612388 60574905 46347855 27494909 21261036 16020403 96900109 80913647 89364118 87706562 73722028 25152729 33954475 38985071 111409830 59692154 56700486 67878404 36347042 96877845 71954371 51460211 30326056 95949816 57808575
4-imidazoleacetate 295320 387227 239746 385015 271807 444766 384968 836875 745880 401364 369995 836610 1405394 522622 405358 417313 226698 358490 313598 462487 314373 159158 66621 403614 347950 279911 116730 274528 297852 415612 250092 301775 171365 219623 398213 613834 773086 245128 457566 124044 325894 528029 247121 387676 619418 153911 116669 442885 325203 587059 415985 668952 456831 136432 164968 642403 225293 744083 720609 181442 258652 480830 316290 942373 1092159 911970 877364 835219 1237201 680153 967356 358956 1117328 1615409 887133 897100 1105337 441740 1277008 1098952 1278349 1002443 1801300 1526412 726375 1084222 1044519 1109184 1127117 1018922 727366 1256336 817316 1172595 446536 1245461 803331 855120 211431 677442 823361 951632 937497 389233 372572 596615 1126677 1084649 490095 788952 952480 1046214 618969 394599 930426 745901 924023 828716 1083106 734638 981789 1015683 1213774 1943012 1120517 676865 1479839 1205160 1433192 1385073 839251 960739 1061953 607411 599320 464944 837589 1170323 1776588 1684846 1327335 1283317 518960 1264262 1094987 1109810
1-methyl-4-imidazoleacetate 982687 892326 669670 902974 1272286 1272096 1427839 1636158 960967 579264 792012 907717 747197 954744 740556 1275923 520466 476080 1329251 821055 764941 456990 666394 585821 614267 487905 1050848 368795 783195 671298 858049 480304 573584 1252911 986352 558228 949492 1023176 397487 794533 793203 444672 894568 1555489 1638821 1279102 524364 1177163 701361 699290 499572 918037 899301 746008 1030267 1259674 720401 529991 592770 665016 1047588 346341 384504 607770 934314 548907 504077 570784 856963 1148570 532158 828927 1075326 827570 1270148 809151 657466 1679702 520330 701450 605606 597502 1140401 910184 1889496 1319110 578785 572772 755819 1343619 718228 836695 385401 775483 394769 1636357 454167 864140 517340 520529 977407 356654 186118 1076428 396948 895259 1722922 692126 859506 8246887 6934147 3900580 4487095 3579650 5407083 3978538 1390187 4423358 3405339 5249024 3294642 5977906 6753663 2823459 5523042 4494491 2472676 6856184 3886493 4889126 2803293 9066091 2998170 3098380 2200534 5345996 2729774 4132999 2280059 7839051 5360218 5688329 4719203 6050372 3100367 4849659 5639925 2928820 3695935 3070779 2468136 5733351 5872257 4360679 3278293 2543298 2227431 2321809 3658335 4034710 2212450 1653788 4321534 3784225 2694773 2098244 3441112 3471141 4909647 6448250 4249267 4431492 5881843 3787216 3954685 4203875 2279450 3369642 2471656 3373028 4499658 2772524 10007434 2867287 4045067 3195160 3440314 3008153 4212711 2391082 5440661 4160854 2004738 3907251 5767729 2669720 4210393 2313131 2284530
N-acetyltryptophan 201666 126474 35190 62254 84681 124582 95631 83552 77155 108546 114358 38341 65396 89729 159628 76381 29245 91321 104870 53583 59425 74114 51551 78398 101236 79354 50853 64683 41077 56956 80160 45772 44592 133957 206446 142423 90334 70251 62029 134390 49420 86004 177871 159427 59269 100970 52074 49208 69099 116841 65883 57430 35898 105562 172720 68395 70123 115041 86985 31586 53533 177145 40361 141017 68984 104523 133042 137753 74758 95601 134840 117994 62664 51148 49776 74003 104679 75466 44697 32986 58300 87788 34919 62124 105543 69717 180850 57716 98736 44866 612794 907920 1211787 677141 565471 831177 1126913 295264 1185504 377741 1179978 343123 964261 823875 1516515 451032 713433 1491329 1031577 1226870 1344687 1032856 1432639 945022 1702458 1004680 1116680 948725 1381542 1262106 528886 1890019 463325 201350 772931 407460 638005 588524 415285 816161 564879 1295548 952329 416440 1972739 914107 733721 1200579 768450 918581 975468 1059269 918419 1325654 1039985 338531 748764 625521 430465 673912 1276278 620964 830045 14884373 2303774 2150816 1088850 886376 819325 331597 531798 518355 1476518 875939 1382717 934493 1161065 964277 1197663 1591575 594912 1207396 1228380 973593 1067291 393707 799173 1170353 1303968
N-acetylphenylalanine 373934 166317 90907 152174 112912 113683 269756 336473 171941 128169 135418 282431 67937 130967 204497 101807 279484 79754 142181 186174 140859 270914 214892 176246 86434 162000 270909 103786 247903 129728 133114 123572 96079 146034 110593 238675 116364 133674 140006 122803 51237 82786 212913 214411 180623 169244 101727 139040 859794 94719 367649 156761 73520 124352 79761 160456 250549 127665 153339 121936 165046 132292 209914 106182 148546 245011 119278 147272 196732 93662 216184 153003 112767 177572 143624 181201 138419 108843 97480 89171 338658 95334 172220 108398 197456 138435 155922 105936 114628 128221 365241 1091765 120960 154851 116935 167862 173193 80203 249914 160812 112550 116472 116678 144965 140895 109103 154052 75369 191905 67708 116005 187140 214687 209702 150652 64030 86216 63306 67394 600942 1055263 723574 806520 794370 1048444 734642 1558298 577861 931868 690551 607939 471176 1194865 1180386 569439 559741 1694538 1480021 1618785 1147421 793412 1669720 1275298 1873235 890905 1262570 1005163 1067594 690015 601565 794917 621879 369608 600678 327569 327822 359666 418902 475802 489685 1090487 636041 478529 1393797 600139 940704 906238 512843 965995 851478 862263 661460 1304538 1039850 377212 598809 419655 655301 606960 908193 596432 597312 2910571 568594 774661 962723 437086 551090 540392 1027899 435445 794848 438640 901162 478979 1186243 703817 672047 1007252 580475 1074239 842600 585865 774330 418800 913911 774991 795342
N-acetylasparagine 193917 161872 112735 159459 169566 213343 251460 1037481 363269 373739 211058 240833 246184 177823 477742 503523 182086 189296 139054 352011 434164 166997 157082 145148 157853 171397 110481 164764 213792 115901 513695 209002 125461 504838 269265 484771 395765 284976 178552 540070 554574 294746 247711 221095 264105 269087 285079 239582 156440 304034 97695 134819 199097 292419 265326 106026 150790 364242 232411 106657 256220 499741 323676 234887 204804 229975 271054 300200 586629 287539 298481 268033 237944 142454 394099 439093 954620 319857 ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND
N-acetylarginine 1774831 1324653 1284072 802175 551669 778583 1435294 2145161 761724 705295 1711483 942339 509774 888043 2197685 760050 726105 778200 1009617 1454287 579218 636431 638598 1271716 518633 545593 1521558 1411795 270295 764248 442485 1600778 710521 520227 1035659 1115317 169046 714602 554403 804236 873443 449189 1003030 1571115 1335546 1674694 2171931 603383 1830801 1056147 802733 1451303 691652 1313109 658422 533116 1348287 883316 595831 689032 730385 1007726 602382 1304108 1248865 612367 1570560 1541078 554184 1588382 754693 927817 891422 485782 743862 921090 981874 339321 957361 873113 781902 1177843 1643091 1202319 656706 1333334 799917 837662 459609 952368 916383 1387780 1101128 523415 1172747 1284881 935625 466733 660922 1197677 577753 738808 904824 471088 647161 624666 411439 258796 721002 321274 391666 791460 1068366 1447285 561575 807232 443281 384493 432808 681418 6042834 8682580 3297671 4114951 6019888 5274878 5932119 603233 4633337 5748024 6431354 2355587 6105458 4025987 2658191 12497515 9939560 5987114 5534384 6873743 5091327 7636106 7193851 10605788 5094113 9359976 17061959 11995831 11182018 10473595 3921125 7776185 5384280 5199035 1782160 4779296 4049971 3943856 4231162 5881303 4517337 7911501 2351917 9535433 2472319 4287449 6090974 4747976 6138576 3203194 5900422 10963543 4783993 5154022 5715308 8185230 5711010 5242986 4541908 11216548 6291766 4824024 7190096 6145969 3444790 4422122 6496564 9302985 4686538 3263271 4463825 10161412 4829986 7313667 3606941 6517227 5013644 6038547 6768389 5267636 2732617 3335133 10674677 6374168 5415441 4761590 4189027 5141066 7482872 6446299
N-acetylisoleucine 412093 204409 250924 210633 176447 269787 420253 319815 284741 353346 256857 230495 309371 184986 380838 157232 413908 389582 155368 180844 328207 383959 249322 283381 232321 179882 229120 415912 124271 282138 322114 199722 197668 196689 211384 167061 322658 171606 224936 271325 269086 306433 189127 358837 312843 618027 251474 444333 275916 281135 229192 216439 286205 247643 278572 293038 242715 320584 356936 352799 200315 193287 233887 338353 215168 229642 216026 182806 167362 198703 307062 346745 228299 193201 241799 353235 217048 202478 241497 247382 194694 189630 159740 251863 376573 494356 297509 242308 306976 237866 165492 217855 404885 342134 217542 190552 322240 363613 218009 343475 280401 222922 306662 197868 349225 366958 281177 402892 140268 220907 333669 178409 942268 1066676 782795 542700 729677 960598 1136203 1648814 924283 1534248 1045127 1111874 679990 959365 1228531 583693 848353 1752315 747624 1496072 1520939 678876 1232336 1287281 1412513 1043081 2537705 1098027 587522 516014 967342 763336 589635 325283 651458 369303 376195 639280 920492 520701 690315 852674 1032156 684364 1013937 857775 559758 937977 1075622 747419 720014 607232 800608 834607 579371 291335 423467 555891 713334 910007 624318 582299 860648 807467 1004730 1106784 945923 787645 981093 445566 763181 522873 961621 946290 899871 393445 920763 555773 1043908 1272983 624355 661536 1176931 1047438 636026 453791 595711 605912 921757
N-acetylhistidine 211675 170316 61835 229573 115289 299190 576749 142811 120237 291370 169703 93961 88688 170003 139015 293284 215484 221318 455519 158991 360087 137707 436095 409221 126988 322585 261405 193613 55041 318836 216658 110791 316417 127918 245210 326043 162589 78013 140103 86745 193392 175070 162860 359433 125751 123926 165749 147295 173292 432524 455596 93584 86383 144312 210073 319960 117897 153938 557219 262477 186806 228612 302021 178166 149016 236980 226530 139324 257314 282087 121721 146877 179788 141192 139854 116850 145213 156016 105108 257115 309443 136712 424943 311309 90881 142522 175788 71423 139490 149883 163148 300671 117079 91749 203446 163481 143739 301809 380175 202766 61844 184489 129557 44351 177166 169797 130071 258553 140820 170459 271110 177320 167041 200710 178011 125538 1965255 1404525 807832 526501 272201 547188 435250 568199 411050 684894 368954 480744 1641347 833166 1414053 705491 408673 644575 437300 1036905 722654 616060 570206 453070 651871 703796 781208 839625 1007376 985849 710219 1260126 390977 989964 924615 315036 554052 502347 643654 793349 948158 930183 504103 863126 995077 565961 361448 484054 687513 512483 895760 662109 599098 473241 454152 480900 579729 372380 929756 997735 548655 596042 600995 689343 469301 702995 639553 435948 841239 1311699 1337903 1400579 705615 731297 420196 431882 539591 750904 473392 904899 1861537 1296700 656479 209972 618896 679168 455600
gamma-glutamylglycine 2078680 2235790 3579405 4994380 1917577 4391372 2671631 2483242 1569648 2492094 3817611 1838087 2816738 4068084 3670153 2669245 2932166 3202795 3666643 2911768 2136998 2572570 3507004 1886483 6584740 2278353 2941564 2633766 2117214 4911783 4215772 5231942 2741609 1780057 2986133 3959185 3513766 1668156 2114833 2876749 3133607 1447573 3396323 2712958 3048300 3935632 6011277 3554177 5649599 1606520 2037716 1975477 2595223 3750748 5415362 2595613 2300393 2203805 2537903 5182619 2785188 3484253 7497524 4259469 3593570 2883091 5295377 4206222 5316355 4093332 2914403 3602697 4468187 3843822 3717372 4728854 3248160 3018650 3560919 3913583 4117015 2845385 2918143 2259119 4622903 3241530 2823760 2315294 1944553 4093285 2439367 6375546 1694409 3679046 2644438 3363981 1359227 1675719 2400538 2589107 1672469 2761683 3404632 1513369 3960974 2649619 1002493 1979447 2524439 3306415 1781771 5814408 3069548 3301462 7351168 3002951 1753106 1866316 3304966 2015702 3309542 4075220 3338246 4322504 2553693 4506238 4714377 4333153 6330337 4209828 2773448 5519361 6222168 5804484 6414844 2890215 3561448 5884164 3356198 4200407 5677931 4144027 3667457 3031945 3227079 5225550 4721575 4154628 4260184 4249313 2121981 5951894 3744890 4406656 8024149 4017523 3202325 4906076 6837152 4718256 4972628 4062219 5301682 4958478 3522483 5967883 3730969 4760184 5275497 4637411 3854976 5674106 6670916 3597214 3898610 1727667 3976547 7857873 4108474 3329142 3747112 3559549 4523205 2728697 7030826 4878526 3835438 3592100 4489822 2833420 3970272 7448689 6044826 4359279 4817011 4958337 5117600 3812037 2995700 8509448 3528410 5934411 5505959 5084913 4733465 2686743 3806573 5946683 4143619
stachydrine 13597274 9808719 4037358 26680959 89885095 81205824 24563601 148549780 46523357 214315821 79923445 44053738 15631798 10340157 8845082 18026405 45223923 24201549 77510606 38674843 26009123 64407047 181511103 28228556 43236505 97242003 132366483 25357826 30956985 38665485 142653417 96825523 149331328 9375894 151762296 30804287 23345453 18058142 8548615 41839452 66122370 14888398 20584003 7465669 7282585 28614085 12154389 1182684012 24445238 36139282 44975084 145119947 222336490 4495597 123625838 23931940 50675522 83589622 102272654 304989981 19461596 203081320 352828469 85033781 27923027 151696135 61441536 144583805 482115046 12896211 13147486 132165104 65642505 129088812 56564141 170392757 611716510 43357863 14008330 48561885 34553665 12171255 5795013 46405849 10101689 48585878 187047858 54182551 27183494 10292067 127912495 18488534 32985831 7872261 20733080 213476942 288177976 297871068 199943255 14430695 412208131 629053445 32127790 45072730 46848519 424889474 6807555 635318390 7876728 406066072 4695080 37093317 63214633 7839748 9390313 4327514 9423745 1087875813 9878966 136812121 77021216 43405896 665621944 42107817 117835983 742725207 558291259 66642826 44200836 638524399 67988798 75638930 52811070 362853784 140979319 1201006279 1562734748 581667991 134347622 22315323 1221586217 498523661 29257005 885594303 98165411 35438809 126039071 192558186 214836911 286786596 20863641 15293421 2345114425 34436622 24882184 104824769 77163798 124773014 358577334 1473277251 285919797 98150800 1281503555 346422194 55272342 157855038 53484565 35435526 16474276 61247994 1276889691 33911177 409886112 162676454 31104102 34264344 368935215 579440894 1132845367 7595617 290960072 85417692 20388336 189351163 151227953 12771927 44052558 475657744 835203077 390289821 81877590 503147012 35899587 1201973279 287551375 60946628 35659443 169863607 87065009 398869318 213475545 101467730 60161438 206851110 1043118184 102231735 33468651 243746981 2367876965 58647776
gamma-glutamylmethionine 566379 480090 335586 399572 375776 336668 674540 642612 154968 274964 361260 524251 284840 531318 636354 208899 657965 268096 256027 443287 285574 549418 398105 244896 631891 386719 846918 635599 217987 917425 348811 668633 394930 336180 412928 442258 594226 295299 399231 197491 759179 150159 378325 371884 702791 415077 613720 500233 1110197 422989 445521 397295 461917 584764 610518 350056 306951 196922 864387 475905 384896 549340 499635 674699 736607 508393 771263 744378 501153 655102 528724 632045 626037 681219 560940 681519 737433 513524 739233 385834 451601 549927 392639 278662 427772 500284 317598 276690 124302 704283 375867 1131315 315759 423802 781954 287383 178123 307280 342603 436583 513538 529677 160459 592448 413842 392897 400547 295179 459911 575197 1066971 649970 791084 662052 495001 116205 174230 352699 440614 1367161 4550797 1488749 2219884 1529539 2109281 3339818 184463 1831239 3014148 2755967 2813740 4266648 2513093 3003332 2766422 1517056 2884635 6501874 2263172 3969810 5880536 3197074 4543316 1688670 4273512 4531914 4737406 3084206 3320869 1491807 1932938 2674118 1102798 1204854 2733494 1547776 1755610 1787353 2158933 2054414 2052273 1494036 3128694 3266216 1386732 2846293 2155627 2572227 2721172 3482065 2672320 2689199 4004556 2966313 3447892 1355155 2968044 3300030 2562541 1638093 1980697 1240309 1780457 2242420 3855800 2121202 1455754 2005706 2376594 1339688 1579348 2630500 2117990 2410764 1720567 2815836 3340537 2749880 2237827 4674152 1776078 3435751 3330235 2649078 5167586 1804168 2706886 3543344 4119426
gamma-glutamylthreonine 811755 717734 1249745 644690 788263 772860 1173285 1135940 874900 673409 1609226 490372 738423 875232 1211714 432810 1087596 806181 602287 1251869 538169 877074 471044 527857 1183836 726386 1012547 841117 517285 1230730 771027 1919528 728190 1010917 979983 1170425 1316137 781035 583432 512921 749805 346137 835107 607044 935279 1062972 1694903 852660 1676806 501756 1596131 461625 684150 1446825 979200 682713 977332 925331 1659390 863718 576405 851627 818374 1098154 1478496 870403 1928480 1385658 1120721 1279017 931739 1260158 1044034 1076675 1159948 1120015 838070 749562 1304943 774375 903916 1071090 1385995 801077 722809 1444361 713006 801694 647775 983921 497537 1181691 539838 1109051 915837 601556 632599 602449 516769 538196 708685 596147 707739 406696 1210790 441112 316740 639600 498424 812851 1590287 1619094 924311 856556 1035219 984086 418979 295413 1048833 800422 2231543 3926472 1875499 2939641 2717303 3289561 4349048 170336 2996112 3586471 4482393 4737928 3491756 3821459 5020438 3842438 2287068 3224693 5699649 2975475 3945884 6888009 3201253 3612663 1864740 4166818 6879313 4717514 4048924 2974618 2082739 2325676 3000917 2037098 1649104 2632779 3489010 4605371 2733899 5734966 3555060 4643986 1527041 3216101 2418956 2708267 3936419 3655367 2406529 3850024 4333944 4272285 3649100 4026437 3717449 3851296 1684108 3379315 5657030 2805271 2857576 2864337 2010911 3138642 2447007 5559899 3701524 2695129 2730369 3556278 3468333 3039398 3603060 3636820 4443906 2604789 4047102 5274650 3399358 3701667 6973373 2720822 4692740 3330917 4014659 6228625 2257453 3518946 4314110 4678872
N-acetylproline 581332 686343 171837 318998 168513 583705 375305 1026517 302539 950708 291697 326967 323352 634762 206469 243156 229277 684609 217623 102053 398270 414277 298464 132926 209878 213108 273914 366738 179428 209523 152895 288046 348385 163194 301776 470894 1041160 109827 209953 201744 265682 131827 433516 275741 1084209 396941 476116 1056896 195735 271042 87373 232351 541679 114375 383177 441382 553247 240624 217369 396076 408019 195575 358202 565627 261312 219449 186946 233405 364702 183238 226277 503056 332446 200535 365908 603635 775633 251021 420920 672811 262915 180606 560178 2074226 362692 52635 182061 222277 329436 298850 194433 203132 254016 149519 114574 226602 153681 588172 255817 85106 736592 957024 929978 1251646 1441336 569075 1104234 2212795 859684 1037545 1105856 1099494 1348004 593333 1231558 1014579 1236084 807927 1442023 1429880 2284847 1593073 1069924 1115988 882484 1450631 678179 827587 959776 576198 1503529 8966175 1705048 1493498 698132 969044 718590 680175 640866 566467 1545613 933678 901347 530250 659872 367378 493398 786396 1073321 423412 440965 506727 1073933 830539 595172 760523 718657 760511 691842 356678 1042280 1161524 1298782 1138459 933735 748221 652230 835394 585646 657754 889177 343805 701643 516258 965201 1172972 1086596 749230 2111038 740770 1047036 1859857 974165 643080 685906 816920 1271294
isovalerylcarnitine (C5) 5295834 3350715 890179 2731292 772030 1227698 4299109 10582718 1390023 1232033 3226594 1685819 1396322 1437299 2367156 1336199 1847264 1076322 859551 3425489 1512496 1891208 1569036 1710777 730945 1869630 1173122 2205082 748183 4377707 652890 2550523 1482167 592070 1089568 1494721 1829263 2979068 1031849 754831 3626421 244194 1432329 1521980 2385519 2885589 1088119 1306875 2185778 3060014 1557037 1750788 1361603 840688 2945360 1491257 1693357 2555804 2009389 3355580 1698078 1064858 946556 1435853 1047052 1473702 1132488 829015 2778300 2628355 894907 2096688 1741636 1194629 1550983 2608560 2686005 750292 1426757 831214 2940559 3682399 1608314 1500746 2230660 2242852 1365847 1568858 705298 1789823 1269410 3276851 3365592 1718202 1730038 1902085 1005725 2414178 1500557 2098998 1765175 1148002 1550604 1135234 1396654 1096713 1376962 499262 1544055 2599695 753210 1986445 3381771 2364992 4950171 1479076 396102 1149392 497698 1336484 5645495 19634815 8148022 7673805 8842169 11032619 10950319 1379988.2 5216570 10367863 13675617 5681850 17544857.5 11493329 15861299 12310619 12659984.5 10970178.1 15608718.3 23093053 6870381 34063130.6 18294429.4 29982543 16587030 31453693 6696421.9 28966425.2 16695656.4 12339667 5741636 18458964.7 10052883 7195240.5 3053586 4557043.6 4029433 8236507 4252611 7089949 2478721 3415717 6711519 11510894 8902978 5918318.5 6652497.6 11191489 13394568 6271887.2 7363711.1 7461016 13299864 13681636.5 19503480 13747693.6 2509158 12402319 9082216 6570438 12520326 10960699 6950660 12078669 21900020 10317795.8 7809780.2 5843933.7 6799783 2637847 5178627.3 12016744.7 14800159 10996289 7208981.2 14103330 9694263.7 14489810 11209444 8573948 15250256 10440024.6 19058505 20195893 10826002.4 11773059.2 5561328 9387366.8 25732687 14512990.7
7-methylxanthine 674186 2676857 3227585 158547 333267 1759304 861702 3289465 283855 2949283 1918235 183145 4263759 859442 1937750 677462 1329389 181835 148226 86563 52850 184411 210947 187165 161513 72523 154152 2095445 3648554 82463 540410 689273 589251 5065636 334423 3229564 3743433 73015 76065 1765669 1324044 796387 104057 297324 125183 42871 90704 74992 102427 650882 523232 198331 522802 192350 96413 179620 300693 520191 360266 783534 2354527 1206858 823809 2285179 234904 353620 176460 168351 546245 1194106 5797411 1933218 303350 307203 467086 209693 632824 893458 327499 560469 133594 881791 352675 271865 101888 1357749 688729 1592910 3879391 2791274 9201518 3517487 789233 3371980 1973392 4765069 537084 7838953 2204703 5124344 1497761 2305818 1923668 6605936 2721953 195399 1686495 498625 2713193 747808 3363767 976108 1223281 3646053 8037518 1072630 4686290 1777840 1450736 599320 2520661 3408401 3260345 2629745 1177051 3048230 1066548 375222 503324 1268821 962180 2946760 7717994 1063449 5647777 1225727 1043515 1537665 157945 1591122 224516 12533896 2969053 550125 752591 3975901 3688424 3792432 2742410 7242147 1784435 1149676 179945 993969 1432603 2030826 216385 2918991 131648 7362989 1436297 1975932 583334 1545811 3850753 566327
N1-methylinosine 407632 150533 212301 304250 182157 187197 319633 317863 371097 188027 530180 326950 235353 224907 339981 231552 262717 195462 289284 331014 208990 319583 268186 395929 444661 201474 140081 284514 229701 411569 309076 330283 214921 237790 174999 238940 358717 169182 197589 306736 241953 138976 158098 154878 240915 250633 170625 103732 464452 348325 257333 286005 223464 176466 232512 252228 219284 423356 174486 410005 341722 331968 318525 562627 272120 174433 360737 228298 189600 327508 205195 259018 208893 191504 210406 266645 455042 423345 302093 485575 293631 254367 195227 251474 286128 240774 302694 249731 232022 227529 191873 318914 350424 273497 383104 173837 291370 262100 209259 222540 226676 208038 209085 207982 315664 303779 206957 367160 231492 291709 240791 402584 259409 235663 503346 205596 362411 320629 89469 146231 1110178 720741 793604 1428971 1217189 774887 855294 132294 2882955 762725 1435711 818859 461230 1133731 1143632 636132 402483 890087 1117040 887308 735603 774440 776551 857832 782745 1259894 1103018 1196691 893736 1070572 895279 924898 876181 1021652 1390331 975185 1230632 1359263 1077304 830240 1261363 1579322 675960 1175615 1294459 1570306 1109353 613638 966045 991103 1222843 1087917 1105800 1114012 1639609 1597414 412799 830921 1101254 967517 1324266 1277176 681820 804287 1031966 1118739 1428623 990529 712679 1335162 1086457 1275689 1229318 946651 1462726 1044394 1359448 1139162 826081 1252008 814762 755390 1232647 714904 725567 1068312 747425 1024134 738362 1401317
"N2,N2-dimethylguanosine" 319612 180790 183735 283711 168165 175523 235713 265541 234100 163655 319684 272192 198864 171860 246548 200106 83258 179986 286088 257008 243430 280634 338461 371257 351826 281020 154285 236332 216000 345597 307218 276532 240525 245240 197451 222430 284862 202519 169141 306210 223144 96994 163830 209496 246209 249075 180854 119881 260620 268634 259633 259388 189081 176479 197259 193526 178239 233085 154891 353344 370926 309590 311018 426462 268218 237074 293187 214518 203773 296364 214692 290297 233413 268739 299214 237925 358785 373731 276136 420106 193553 238302 162774 142276 198131 180478 228091 230691 177362 202862 162006 252488 275620 208200 273456 200929 239913 297068 191300 263197 301870 276832 247843 217082 268959 370251 183208 292772 258212 311709 242576 277795 285474 205536 458124 200539 340555 353570 180298 164510 1335011 940087 1342454 1566682 1445016 1097204 1115551 299476 2366160 1257539 1703510 1046036 872382 867886 1327640 1131212 1139213 1212938 1482324 1411995 1495576 1849357 1225930 1541583 1463683 1633365 1404815 2086161 1175661 1762488 1254445 1154355 1346667 1138639 1547861 1470368 1662781 1605956 1284816 1461799 1349136 1465419 1521658 1161040 1238009 2037862 1296361 1116510 1269122 1214787 1813796 1533429 1609814 1239722 1898755 2008067 572182 1199575 1749719 1112083 1613326 1712094 1014532 1217728 1278141 1255810 1581116 1161589 1330796 1544065 1355871 2333918 1580405 1279265 1451819 1361693 1434183 1495981 1154367 1853396 1575964 845039 1653767 1095721 1449040 1637971 809886 1283932 1455308 1599108
N4-acetylcytidine 167300 169413 94782 275921 118773 167439 483191 105376 123706 185888 253188 337478 93198 383902 145911 297922 228903 518166 282558 1334838 528689 1696746 245856 460051 291369 399891 180497 230197 86403 361136 303014 74057 82753 114060 382637 225530 215819 769168 129948 432160 101767 308170 118975 124867 146473 102407 569625 158646 392920 135934 783744 64725 328535 58274 324449 93667 125900 120962 380932 427600 422920 226610 645334 607809 426319 140516 206102 234055 522606 113138 292791 366808 42801 144007 90747 296380 203427 186802 99901 113092 241228 679953 132787 173930 103072 289367 159961 522144 227171 162649 81042 390399 299909 65663 759027 499201 101229 110173 306002 219619 3028604 1190212 3534117 1755019 984544 1117908 1394698 161991 2731005 1653272 5900978 922431 1037617 1999706 1634843 2157165 1955249 1344334 829269 2233291 6144882 939693 1217362 979009 1827277 2137012 943941 1564698 1035863 1597086 860249 1172855 1486969 1378048 9333190 1320535 1614662 3039677 898985 1991023 1187200 2486059 1732241 1667106 2485818 1274113 1006653 1220225 1803865 987725 5187282 1044833 2568892 888939 1384111 1534105 293733 2007361 1513201 1413927 1508162 3054649 742023 894881 1841081 1394305 1384931 1114591 1388243 1919809 1860269 1727750 1214645 996638 917320 1237211 1662865 3038903 1233972 1963643 1081832 947431 1441208 1462548 533284 1789137 854899 1175177 1975956 874217
cysteine-glutathione disulfide 198391 312282 506263 619888 246171 131425 304477 226611 304014 185372 372035 785876 176026 1151484 323374 163102 155704 120067 389974 223091 371504 235972 234431 32458 421448 912469 72964 196708 73709 81428 208051 71844 195019 102282 180371 221972 1374450 209529 302298 325374 129863 192559 125586 330973 504874 203081 302699 200082 302008 50653 591405 339759 234458 338814 255903 98736 226754 267390 297473 291954 356475 103015 112612 216827 147785 200572 1500113 240811 157437 141493 237796 49340 42432 260233 356219 229633 162469 340128 202022 335613 43820 283247 316597 496033 88933 145954 2164735 157042 197061 156937 218413 63929 184617 85093 70455 209345 227369 400387 273793 194138 266611 143215 385083 460564 119294 825000 968566 378647 1423781 572319 609600 417358 1119152 928875 187258 713998 881223 409169 397195 518500 101868 1293096 645750 910358 468821 4308120 326743 712191 771877 373222 553114 867170 460540 855043 1616417 963250 1094871 1299947 215728 894467 143114 892992 929303 881428 317805 648505 926035 1284976 150225 353426 690052 654037 524595 579156 481009 608359 329277 1722664 744118 609997 835150 419931 324855 310665 602464 749507 513516 989523 282417 752688 858935 414874 705715 258067 1041140 258416 584720 910077 828944 480198 239362 608200 485986 336534 243995 467548 3136519 372066 302944 582900
7-methylguanine 2771235 2076908 2337745 3165153 2474836 2310281 2733916 3069331 2364520 1804958 2416088 2891444 1853996 2513550 2731701 2063333 1948047 1866780 2723727 2599751 2856028 2498703 3708478 3976141 2911551 3084331 1651697 2642540 2627625 2937992 2978755 2720320 3286376 2488576 2307684 2568833 2639972 2224475 2264562 3460378 2499093 1134566 1964228 2005114 2236330 3082662 2148152 2350406 3448961 3071404 2433489 3320002 2089033 2128410 2637872 1933429 2061509 3622998 2214464 3536469 3026011 2855164 3054649 3580987 2470325 2242067 2484660 2923044 3066955 2761867 2124207 2423079 2718325 2693524 2866358 2492032 3029846 3333435 2962233 2363281 3064301 2327947 2083735 2193258 1960251 2299509 3012180 2309906 1703174 2290703 1451682 3053809 2594859 3451394 2666404 2015748 2488516 2676309 2130302 2196230 2241107 2890793 2418959 2538680 2295997 3277095 2734777 3232155 1925410 3451661 3547436 2882812 2457495 2104022 4442715 2341273 3117603 3264467 2075368 1694399 7269653 5180636 6166662 6360761 5723229 5864578 5353850 1555310 13668479 7156976 8322470 5628184 4627928 7375542 6825498 7391227 5048842 5779343 7573702 5850079 7037661 7231223 4629650 6817947 6263854 6710581 7642219 8481821 5095492 6516155 4357092 4417270 6468480 4293680 5363019 5199109 5264255 5552631 5084619 5061019 5698715 6643063 6511634 5301434 5380393 5570496 5655167 4371909 5464807 4466140 6472395 5360978 6504152 5320381 6225380 5321571 1843236 4184896 6099854 4375517 5904272 6639696 3255198 5006588 5267802 5243722 6873808 4894924 5266644 5100544 5141900 8081972 6347955 5094566 6060260 5099403 4962113 5220671 3993210 6027162 5231032 3030987 5301084 4572503 5431432 6771929 2804773 4364051 5695371 4382912
3-methylcytidine 73681 113977 73660 44186 66502 157519 37834 65980 141421 55873 191956 106501 185168 177496 121976 123639 135970 134852 87835 158084 146911 141568 126427 94690 112135 107837 124870 160236 78347 128387 125685 30326 78521 84675 130356 134585 107664 147349 58047 107577 97860 73681 41759 117396 270784 133714 136504 250123 149731 189175 100715 140185 105967 173138 117403 137061 111943 127778 160194 223175 143246 167941 271650 91414 29365 90262 118525 66852 108298 34358 101009 185010 112580 189744 108475 203160 160839 124075 160376 159170 203509 181022 120814 77306 173912 228889 91384 225186 146743 195903 180572 129975 115579 481181 309075 289926 461359 338469 141550 377307 284579 108508 366793 400315 408109 255328 424573 281111 145434 346146 578102 517083 724169 812181 519174 976775 500034 644568 578328 619993 368767 592048 407017 387062 263997 243359 318480 249995 339810 304114 426117 104061 247820 314267 425498 69518 227912 388280 624142 537860 402575 630203 640739 410024 375337 635722 649952 488635 200151 387950 508811 373507 440189 430113 243665 385800 616253 241180 495866 119384 629138 321614 469388 573206 464221 517616 381448 339041 462565 574601 525942 663559 295097 920532 671030 428899 777710 302337 423945 511349 836360
gamma-glutamylisoleucine* 537077 193452 183167 243797 135504 140681 394476 459202 254257 200249 486910 168344 175633 266947 425191 109823 298654 171111 230538 452181 153118 163583 180713 290640 153722 116433 165111 222709 178740 392291 154930 283470 181921 199756 158114 222509 269058 118202 184971 111032 284812 44841 204593 194793 290835 206480 202584 256951 418703 346039 158130 233330 226354 193145 281105 199826 273654 172462 314428 224183 168674 171016 281367 270375 182578 197590 186740 230942 192671 301031 214472 262288 155092 203089 180522 136463 292160 361475 205498 253936 207355 438718 170141 245592 245700 281371 207281 182597 137183 232780 180804 425708 334100 180561 241028 191285 159808 140439 108764 259559 272248 96899 160331 246911 254603 179196 203955 194650 177786 209852 182794 310429 255919 217434 354778 204806 139119 202819 99362 163643 686235 1336207 527989 715765 878120 737266 1239398 101432 1226105 936849 1175315 785591 1867538 706968 1577661 1625621 773203 851320 1953890 1186168 1402867 2135127 1080918 1785215 986893 1800954 1319005 1902447 1193500 703298 505188 1162837 931399 844028 340155 662608 790012 687473 629357 1465040 607391 623329 385236 1129053 696507 755228 764326 910678 955523 742508 1466872 747013 1053425 1331683 1300643 1494678 441918 1210030 958800 669586 1065633 883306 694002 774775 1461600 1508678 895108 618054 689162 881498 589756 1176242 1124655 950945 992950 724447 1067028 1105112 1116282 1016516 1576497 570817 1463756 1273705 893766 1749156 601962 1068361 1308002 1049815
2-methylbutyrylcarnitine (C5) 1602501 760884 400079 679169 386252 457387 1577726 533913 572664 1525837 909348 1044030 377587 1028889 296796 450446 379927 563502 1249742 509435 558902 372963 866276 222936 380427 445365 532949 543447 959989 424141 479637 704875 281468 531629 270257 324716 166246 626421 318920 773398 255192 742302 485803 841086 551708 536538 624916 1033975 1604955 454481 808274 646945 517059 693238 1045386 647011 722438 879677 656877 243468 675633 648771 777803 404575 288613 544506 303402 367752 547768 411950 582573 401769 492659 611442 413913 565483 721098 330493 708161 459845 928642 449278 618171 514769 521483 671820 713453 521655 522683 427778 1112460 1752094 533817 1057983 436824 616831 608744 445389 574835 729925 498780 289667 547795 592277 511234 603075 339902 343631 374316 317145 845777 513286 459188 762571 387902 407900 698112 261412 456490 2086529 4335854 2232633 2812362 2521488 2493075 2656448.3 246793.3 3561651 2495738 3673886 2020398 3363567 2359697 3330443 3051483 3095307 2563285.3 3374710.5 4426441 3463200 6754348.5 2883263 4529108.7 2537288 4994539 1876380.4 6746559.1 2399322.2 2027104 1310562 2470700.9 2355151 1705946.1 1041341 922238 1623107 1687662 1333645 2296636 862874.5 1286361 2354095 3654706 2116794 1459192.8 1907714.6 1874781.1 2831679 1621262.9 1663043.5 2649621 4118930 2123143.7 2951424 3088427.4 625532 3865853 2509273 2335334 3800477 2260402 1967378 2623261 4316277 2972769.4 1697008.5 1033653.7 1360699.3 1410744 1183326.3 3154642 2736524 2278130 1276696.3 2448515 2035457.6 2181529 3588632 1843902.5 3852578 1108780 3578071 3956173 2216781.2 2892448.5 1394640 1642126.2 5416508 2932695
lidocaine 684801 17813376 33533506 43523425 46686099 42405109 22405406 29850185 22916823 37787611 19867285 87561920 307253602 23848256 36709645 47345215 44697845 73192976 75211240 42540574 32504115 5227130 1445954 469094 46690500 24561645 44448202 286907979 34022824 24561795 31794433 37475063 26204289 36077736 58093346 27265244 24969192 31274734 427875661 34355495 1920443 14722726 61870297 251175942 210618437 961012 59883059 18773897 25581048 66171778 30895997 52038106 21676260 61746278 32019924 225020513 21962487 27418528 45182441 746376346 31101196 41662195 26950604 39261594 10299652 14206141 106255453 31433209 116227776 182816512 28515942 3176820 39321925 7132262 108241877 76606013 21319033 162709641 348873720 76782121 309658549 32935067 299299886 1336814
N-ethylglycinexylidide 114767 115115 9211963 9357959 7884635 869651 5362859 8305651 6031302 8670454 4930727 3915125 385558 329004 7027448 5986407 11403236 6952576 1839973 2152016 7311838 12957961 6846153 12225088 325869 5261341 7384845 6247918 12535577 5020457 12945009 11129562 6382570 8062593 9609817 402570 9658812 5418720 228781 251688 8363908 7062643 10976170 11777762 9001833 1339189 8652108 3613574 13215067 224041 2978892 90238 1147411 8018778 11889606 12887937 11321274 398409 1666308 58114 981071 11166617 157062 130049 7962468 319107 277674 160603 656521 1309252 485463
glutamine_degradant* 27169395 40394601 21929661 27834641 40631393 15173314 32864205 45152256 93605862 24106051 31310511 85871651 38067093 49306518 38704986 12659736 71962189 23635448 18383076 87922601 29629018 23439321 18591392 20897714 114624120 21169727 33889734 117188595 219420946 197175018 124874184 33449631 30926821 60341105 75447636 61562509 144322846 50363836 34466486 47028407 21462542 17696050 26906198 13408020 66469213 38414147 55310900 30126478 141083097 84840766 47950244 24774185 22196669 19549839 168081693 36723312 46604225 11452886 39352511 144089153 23895060 25615063 48836178 138526400 45742034 39082740 42878007 94603326 25554542 41601807 51307360 141316073 40833802 82874995 56638521 81231629 248172496 179643265 104024272 151280764 37152737 23758887 27781108 51029173 17606948 24191603 24096627 30423863 41239203 46519373 59725297 35235936 83324645 64624672 32348893 50797693 108562891 40269052 19146814 29344076 44248418 18325872 36772754 35314258 109133022 188876194 54186877 123954091 25442383 20535379 63782604 261161865 24317654 30341892 57194301 37943587 31817933 38581809 3772727 42582983 100374015 58796813 26728223 221905011 61865726 71733422 80557066 13933788 130817646 160327279 262284367 114365751 56363439 47506520 165376803 101698435 197848802 292464119 126840814 62878575 410960107 81835626 104685034 297135890 156855655 138384713 79338108 247927440 90438991 75150230 37489082 35865831 45762447 62172614 124716234 41698216 206353962 102858964 51622579 321848406 63634574 271182982 45429676 47647168 105085787 66340043 149882676 81159379 59483067 242595767 388016591 63432456 182792514 358755097 190658803 213801742 42775185 90806757 55920133 68139087 47005803 33157302 27022365 65372369 50188978 67942240 61495612 156807059 160865663 77780334 142193087 35776110 15491888 72177712 47088884 62667782 338739258 72412585 59073294 172588342 42252071 93033229 292254435 120885149 35653356 152577687 34766978 39135112 30056299 269818877
homostachydrine* 6680921 4524556 2854244 7702792 1829198 2634081 15038296 4570593 4953020 10268085 5922464 5040480 6618808 4129516 8139050 6061389 1849190 4179995 3121485 8721252 4223003 8083038 3065169 6675280 2265769 1357890 1629521 1863253 1830059 4133354 4419954 2331105 3564829 510508 2087662 1674429 189493 1741137 380714 2919309 3386101 5937275 2950534 2259790 3201818 15172381 1844870 3047616 2296445 9209491 1505480 19718928 10383038 2951731 3207841 7294429 5429684 7558287 1965385 6162731 6119622 5937356 2053704 3244779 1701117 1613708 4130415 1046575 2343148 3748246 704671 4767742 4309552 4892836 4344965 2425574 6404580 1221294 1375315 3760705 4259854 4328629 1006873 4798877 8062668 3314393 4477013 3952233 873483 3980006 703540 2885435 8666108 3927806 8639448 8723076 1699395 4888400 2257418 3814452 4976725 1787310 3467807 1954617 1230873 2346068 2222341 2036821 1527785 4632904 1455096 1526234 2537615 2193173 2411851 1542298 647973 1791311 1531962 4035207 10393851 16071632 12234143 14845241 20449581 9377799 19362165 367442 3402039 7414489 7757837 6220772 8228293 11415966 22074631 21818530 35631804 8181692 8876523 17870166 6817112 32211729 23368692 13485916 5019493 18631613 7313231 34218802 9517849 9392117 22889193 17883410 19123140 12011345 2719349 5231289 5607105 5569405 3893953 11584950 2600087 7172617 10284983 13622982 10186517 10012067 6367666 12483797 10264185 6444903 5242515 4886893 8053239 6373086 11259551 11347399 3561908 13920861 5572547 4182979 6954650 11433589 7811306 10698052 16878432 7348441 7488875 9613036 12073653 3843272 4523040 90942923 34359639 12814680 6527372 5440276 8302927 9762891 17881914 4188137 14266418 14864269 10573376 19708323 9534585 16054849 6154960 12334669 6304929 12348061
glutarylcarnitine (C5-DC) 1299363 880920 1826424 729767 562718 337868 1684623 912113 675919 1202068 288796 1003582 648296 901424 354215 843776 968595 243061 1299559 312161 649941 804984 874581 1763089 733233 993899 1422345 1958848 2920816 730518 996991 1055622 904962 1184247 853162 348871 1030376 404663 472254 830198 183571 1030189 371944 971095 714724 846374 1509239 1871776 1064935 1085396 619106 463601 1498925 609783 971059 1854832 990871 1059640 634000 323125 938863 923353 2897556 947250 1294798 2236307 393721 425539 630979 951444 1751465 769940 928498 2288471 2053300 907334 1161889 1071432 1038165 464368 609725 412297 1586122 188563 542905 218797 806728 850995 684992 798218 921481 905405 721779 1243804 864214 645282 764838 781701 535766 1394187 921536 1596481 1142872 986611 704245 382463 913907 1394511 1176699 856757 1030733 1305993 1064451 597955 304176 325701 859485 1546074 2413252 2296573 2696498 2437538 3312736 4132653 293960 3430012 3458424 3018426 3583823 2265448 2072353 3266810 2661316 3095872 3701042 2141988 1698394 1898980 4295234 2544267 6773380 4468510 5144094 3250470 4121774 5056369 2429923 2817390 2441831 2102637 1144932 1388772 1202506 2832144 2467468 4005847 2911819 2145190 3864905 1099472 1268542 1432717 2459672 3522459 3400565 3306968 1894053 2027708 2760256 4720814 3655960 2391353 3294369 1828613 4496824 1953861 2270840 1642351 1220666 1921587 1258512 1871696 2757394 3294329 1947226 3371935 2291417 3908228 1794250 2110292 916658 3053373 3165936 1987202 1321739 1703011 5911044 1256213 3546833 3987586 1769077 2129393 1864012 5315907 3818877
beta-hydroxyisovaleroylcarnitine 1228055 1477804 1010663 1561354 1458018 827599 1261930 1039134 1511623 886631 1536673 1261837 1161995 1195206 1514386 677865 1779220 1155820 1074619 1753984 833983 1527854 898005 1206385 1456768 623455 1010374 1324213 1028577 1798851 746421 1096802 612134 601006 683616 537011 560842 1215856 792186 700400 1179457 479890 763214 844276 1112980 402450 469792 1196595 1499973 840231 989379 990876 805847 866509 1023363 1316295 1191136 1140939 1465817 985536 732439 981151 737105 1000987 649218 737818 697920 1285536 861130 1236477 972961 474727 950630 922145 625419 1394781 545864 373963 912150 891184 666803 955366 1177532 947671 596903 779955 999776 822359 1098990 966005 963829 825427 805336 627840 1099507 630965 1203956 970816 982337 1270404 580555 730134 594874 732039 593903 392150 790233 296178 521132 565843 581282 1708935 601945 974185 376553 678614 603405 527052 251331 738322 2815960 3030189 2864432 3056769 5580148 5306697 8160218 1730787 4759051 6146691 3381710 4010619 3723469 2959108 6789861 3017948 3978123 4798395 7300951 5304081 3454742 6617821 6010785 8117332 4722052 9853575 4571841 10714435 7000332 7935387 3835236 4991455 3534084 6423243 1999901 3493950 4929809 4143649 2862251 3892602 4174682 1973007 2231906 3533983 3139088 8805037 3401905 3768082 4613552 4066938 2517766 3350807 10956303 5000686 5943912 6523215 3877317 4386118 6049730 6313087 4027286 2827251 3945739 2424118 4322498 3489279 4503140 3432172 5290725 3166194 4681948 5568218 3845270 3711277 3165716 4775602 6458928 3695224 5259483 4427859 3252166 2424346 7450428 3345169 4997739 3631213 5593559 4229648 8735782 4810826
tiglylcarnitine (C5:1-DC) 793341 312780 102427 241405 540682 412716 141970 575781 284869 530533 244126 858310 79265 314479 225608 324454 195936 256026 136287 440997 99983 229112 154338 84751 164264 87132 152243 187214 95073 77301 92346 314570 153374 181266 333245 114869 163398 227669 597487 305851 307436 321080 400243 622028 279136 88282 265919 302959 374682 155228 237275 87818 159156 220589 262859 148286 288266 135655 486784 260034 654973 78475 243570 342257 198657 220649 301430 217790 171673 188741 131215 224274 506039 135455 137356 109505 212521 378007 363330 78099 144917 117356 154671 218584 180407 139728 721768 1522296 772464 903976 1336472 2062234 2018842 455346 1782458 1115804 1158983 1358803 2430528 686341 877513 790712 2127875 1714739 821175 2202338 765567 4019370 2146084 3159781 1120541 2031455 788594 3338415 1746871 1478715 1289507 1984887 860377 591179 327295 555297 1351914 545101 579650 1127501 489116 305218 477963 1168375 1215711 1064383 663867 1512736 1001052 771433 658851 1321929 3305609 1590211 1014166 1486634 256598 1250413 773597 899698 1435517 734210 1206920 928455 876490 1021051 728805 304616 648302 1429359 451899 1270600 820699 931448 603447 980814 1199258 658006 1116421 801262 1446552 1038808 2202603 1244977 965311 764405 538317 715428 1172833 1554202
N-acetyl-aspartyl-glutamate (NAAG) 128515 410556 170676 382307 678987 107217 174445 233677 65356 226571 110131 207502 74067 165113 477969 99704 200720 159634 59636 359409 91900 185565 111070 193383 107443 151269 243468 45873 163870 205169 222947 39814 241601 270774 178490 127152 201122 368994 82204 80740 226469 309151 80143 530482 257827 68643 115633 82744 162076 389530 138940 139047 551124 254647 163852 182532 85509 280419 210020 274387 171295 171178 108498 123206 183257 135468 46841 279783 214997 204398 168666 150386 131755 285270 239266 151871 313835 389901 140799 102036 241450 162467 712588 168738 137107 271761 136073 220599 139396 203975 219917 112422 116789 34894 57617 115061 87308 116445 121380 238985 179667 2273694 846934 1216313 383628 270623 229584 191218 326042 290485 377803 565654 377766 446847 580440 257114 520414 361708 158325 137021 192640 209333 366252 188809 259927 207658 262670 166735 353687 320409 239613 1102363 1203529 924505 604539 698610 382467 461776 237986 302396 225950 165180 484667 935033 1106462 892361 250580 326055 135848 381675 469792 235670 298727 473044 356780 518804 361013 141848 273639 357884 307317 938270 732637 379991 501630 212752 387961 444837 527156 318058 293233 319216 1534176 843318 806693 402960 483624 339921 543617 309701 194666 485518 307192 359435 223005 845782 240123 166432 342059 448797 196921
glycerophosphoethanolamine 4555732 4893108 10636646 7636747 7174994 8148599 4105988 3702716 5589268 11285952 10714107 7892823 5055323 9936665 4451524 2922010 7966407 5768754 5646402 7377097 2020199 1903204 1436572 2556900 1779380 1736665 1793367 1795249 1849222 1690143 1030517 1503289 1876136 2211533 2023522 2035778 1962365 949775 2318867 1966621 4439367 4463418 4373036 5057416 6850024 3150213 3651428 3005539 4894100 3818665 5516595 7028404 8098792 6697053 5555061 3950809 3142080 3058807 8481869 5086388 2298341 1999293 1317636 2727647 2787957 1948409 2772223 1934696 1794490 2001156 1695889 2687658 2846521 2160087 2225684 2511133 1755867 1863298 1669664 1446205 5756296 6406676 17247408 3064497 9319123 5493077 8164931 3100020 4394077 5594970 2912030 4427225 4900113 7044995 3822041 6546086 6433632 2781008 3149494 4543322 1914822 1874324 2171220 2151584 2184908 1340000 1912472 2060128 3326046 883309 1935975 1819657 2259613 1846362 1585993 1791805 3782416 1286270 3324748 2225384 2485006 2458755 1745089 1520726 2363173 2935208 2287089 2300790 2469992 1745634 2651372 7826504 2699139 3544080 3026362 1990880 2265741 1935493 1292613 2285920 2915089 2225668 2341267 1820793 2228021 3029614 2227224 1987714 2040825 3463122 1469169 3038328 6941321 1511131 2763353 2267161 8913052 1433779 1535558 1693389 2383600 2197047 2837170 3017033 2209486 6353597 1008949 2625023 2471104 1785292 1618966 1673826 2102188 1280512 2539663 1115940 1173906 1208283 2970181 1817314 2224880 4720964 1742536 3720445 2224944 2884427 1397594 2121449 2865632 1560155 9631086 8159611 2284433 3261103 2570715 2367013 1354028 2085562 1879104 1591589 1443189 1591922 1622775 2589415 2378371 2059872 2463644 2965705 2392352
ectoine 3001985 2178991 696862 617692 82461 317959 170287 425484 2524150 300744 1396855 464025 345914 177813 1217496 302772 3300052 599999 1599419 302488 290488 71503 378343 410955 250859 545336 692936 1927948 329466 345947 265003 215052 366028 75992 316185 87979 403235 176070 122764 450756 519704 520332 1518906 296592 6337419 474284 222275 128540 686393 688798 341993 1046768 79111 4080048 810126 280386 183045 111116 444575 327730 846501 202090 497798 740171 260341 708161 191657 211252 133087 295231 502270 370653 486342 555876 1012780 439806 1939069 1008701 1084700 717173 2878740 178681 179103 179083 2249401 4069591 5861224 797014 269003 1679843 473538 841204 393309 207161 424458 306265 148772 499682 819309 168287 3223935 202061 410318 581905 91639 431024 91520 503971 515224 1914350 2380865 1808124 1083038 3490003 2318925 1219956 1456853 647141 8237708 2283981 3930902 817606 850477 1111734 3046155 3013682 762325 1647668 1300359 847126 1102373 3839924 493945 6164437 2504221 1272774 10310678 10065650 4182970 940144 204021 709483 491810 1033760 1164589 4130111 1609103 1343073 1953684 2283933 3521591 212153 690596 768399 478782 3669650 1111379 11469731 606404 882855 3039684 3556946 9268892 1792916 5959369 6771336 2406874 758013 712660 1726245 777244 337174 1367730 1228878 881884 3741539 1676350 133264 1149260 2314317 542238 2048260 613425 957809 887254 5282244 10548411 1627267 3244323 1809320 998686 1369140 2100989 4078857 3763879 2209537 404703 565091 5332553
deoxycarnitine 21539410 23609006 22795148 18898830 26825073 15830174 19209257 26986231 27749206 20802179 30496551 24468448 17619047 22196888 27992534 12824686 21886059 25347087 15197005 28043920 11679020 15785920 14246930 18958810 21110019 16111471 19936206 19464502 14038191 24152858 22310561 16075469 16069338 18888546 20229881 10805078 25644369 13871390 13557791 14921831 25685793 8041719 17460142 18173768 30912004 22837562 22734000 19136839 31866825 29386811 19765859 16203683 20590401 23180004 24156738 18123613 24096552 18634807 25038608 20964107 12651703 16509383 18237319 26553877 19943638 14857540 18254406 15377464 14469173 25141841 30067815 22163305 19040138 17932021 31818647 25832604 29186395 16666203 17184134 16338996 22515835 18449317 16551965 23465457 14920813 28249811 16998704 21297708 21444022 23955648 22345011 19839246 30140690 22747204 28570366 17387749 19151406 22941114 22973137 24750694 16010974 18889394 15039029 14912542 22216703 22021104 19916908 10899515 16457177 17885441 17882231 40653551 17577042 23602693 24625353 18254887 17223479 10922214 12077874 22131907 76719162 94554097 43960013 71054793 67349819 88725887 111098311 12374072 123616237 101413160 66641317 84057428 79749188 70359653 116476160 76919294 93332313 98118092 109880740 80145710 63061108 124832669 120865163 125075618 101260508 104563540 126747438 151543043 95764557 95504183 51007754 69716966 74070300 76223963 73332730 65481476 79049716 61947965 62581623 89279746 68917883 93331733 48077018 69363239 68427652 69524636 102075452 72535356 69554816 86207822 53209588 85610655 113706150 144412998 68974557 93363780 42464657 97812711 80151279 115635388 54157054 52999295 59787231 62647620 67235984 67529519 82077365 76091530 67464882 79418220 78296115 74329640 71755484 76337164 61179240 83733799 142420199 89714680 67225017 79500718 80260473 77669703 128815668 75770642 95506597 108091116 55768626 79031755 101076047 100606193
1-ribosyl-imidazoleacetate* 887459 612163 339009 443271 275389 259775 233035 726508 596799 414293 723096 400959 357411 481726 862653 2916171 681985 388918 575784 347618 357382 331340 489591 429768 426377 242062 218544 398479 239028 458851 346807 355353 247996 350894 663050 437830 343192 126746 494751 341676 292255 361388 246891 472578 389171 490983 272367 601614 608037 1000352 374594 398583 398610 438816 598409 578903 121908 311452 288617 569233 542539 464194 805013 344566 410499 376502 411742 353122 729089 282527 646715 377533 390377 247665 377769 574097 249213 412876 540417 326630 255033 338137 503162 261354 234275 483350 438015 268033 513930 311929 370603 652440 416578 459292 168430 171877 281765 378083 463926 598513 429386 353523 194448 370392 467553 78603 341345 169990 485603 449130 234621 259540 542705 441036 254752 399968 298108 357943 1275853 1469213 1317282 1247427 1570934 1397085 1576549 233262 1810358 1795003 2029814 1588889 1012757 2450609 2267887 1568354 2129335 1106132 2939817 1782698 3014879 1353943 2367634 1494648 2005386 1751668 1514807 1139989 1648269 1300287 2239695 1387882 2574680 1956558 2503331 1437087 1560315 4041575 2011974 1947667 1962414 2534430 1443850 1877040 1658694 1617670 1081067 1394687 2417836 1990361 3340424 1251029 2567940 1606907 2803055 2013148 694905 1210945 1660253 1789137 2254652 1825069 1052516 2985168 1983601 1799346 2579801 1083628 2931840 1090828 1854481 1692183 1379756 4011998 2019842 1972023 1435800 1517786 2110420 1813416 1544036 2385592 2253096 1400809 1717703 3083157 1073654 1404778 1095735 2248982
tryptophan betaine 1139819 15730052 2752146 80593443 6986801 31101342 3487672 10611422 11834745 22414017 10075469 11474544 13583385 15203143 3698666 32381788 2128723 5871094 63552117 8612218 22268924 8936238 10363163 23925231 6570284 7443550 6643656 5465476 767914 9042592 10827645 22443884 17661601 7921467 11438131 12456610 6011307 5350577 290719 7616541 23861932 12855659 8261039 2730806 17020822 54071550 10651389 17624962 5080957 1718572 10357569 23687802 21311185 3028698 12028339 17125133 5029804 8604671 17834099 10183650 1597298 27718850 691271 3010689 1985479 34065998 25367187 8467018 23020584 26988766 6313636 38611756 5936471 17370815 1714144 7630038 9455584 14728693 4216290 31216985 10695734 16043652 4587653 9884124 5587321 14563948 69522637 21167821 17804958 18259787 61693655 1413646 23281748 56976430 37827204 2742850 4643453 3370079 1141457 17997251 9722476 45872808 28416031 12267981 3662885 14532146 8092876 15770837 14134622 8009159 44208821 26708110 26529815 3129264 12455182 1478283 107840 14663583 87542305 197970191 1100847 1887324 51177865 50641618 154493298 8075625 183628560 84558327 24125847 132532508 104179428 308645190 63673125 143181296 124215334 57582438 44847748 62440365 16742140 59422759 9914744 65974473 37939757 23508835 54714817 210741561 34623514 610726 11684550 25612672 117431133 4747962 2908245 42440415 12229264 46395922 73824134 69607663 19218538 27272995 46259827 4656410 36101984 18094442 8333713 25400328 32468751 229163100 12849589 2012574 77221899 88912405 44661747 1674967 7771524 153772056 677121 11160625 88758888 48111866 12440052 15921957 55695043 413916 335435336 73681798 61391809 93041643 27118723 144097456 63540463 56109853 302281 19733093 106908957 36346808 33033707 74329217 102023920 28932943 66714493 198195089 46389217 69767687 7555989 28738032 12786383 28982614
pyrraline 522950 134807 493426 112559 532152 266346 275785 562320 990393 154289 117961 241182 347795 462308 308287 238584 75718 70079 39327 58339 32815 153613 73773 126185 84558 313064 376945 160038 226929 341647 556015 330778 275230 925219 92689 97174 633825 232681 212293 60100 36150 55180 70644 409768 444571 321393 534531 210092 208393 189950 192472 244873 97669 544869 611913 126327 521308 79014 91824 55193 200358 97819 137697 69833 188656 973555 288269 317793 1458723 583400 1495834 499644 591643 414969 1107804 754527 1523725 1967935 214002 1019284 636947 1201426 747842 440503 743129 494738 251230 1261535 665861 478223 161715 212838 502230 254323 409455 591386 815627 653051 327427 395836 429911 551451 735182 593122 316430 238447 467059 268828 344799 874250 573706 777621 320833 213462 214425 238815 464152 170799 391773 330253 373834 217581 445812 281017 782965 166946 742960 417740 140249 845657 654730 822616 889787 370061 807183 254708 594949 1083777 592726 591909 898843 570987 630738 306441 503101 416944
dimethylarginine (SDMA + ADMA) 31181740 23425672 22057914 34259656 20029818 24950462 35226216 27257411 20115067 28360889 31616929 24243760 24074537 29522257 29565633 25281993 27855531 26031505 32772450 31855930 29839672 32056642 37030261 31987597 38401789 23131124 28943732 27054780 22966398 46866720 28512540 32759441 33369216 25289824 30559374 30805934 20940330 22203609 21614826 22853880 25397301 8942001 23654494 18953668 23680759 25396964 27478529 21574682 37585956 24012749 23354725 30447009 27603185 23050096 25004731 24149971 28708064 29853977 25148262 32397146 38395703 34824982 31548173 45156974 36629189 24546988 35429008 30180844 29772131 30608349 24197805 33270653 24812263 32845616 30877626 30146387 33030495 26473291 28549715 34472959 24335413 30273218 20556559 20655209 29748514 20131113 28268026 24839938 14486508 25755670 16654488 38988550 22956556 23303149 36116421 22561071 18306827 19552347 21329434 20059974 23807838 27922935 30376360 21924544 31106592 35301337 19869866 28792889 26405400 22975384 20065672 39313481 25484202 28873086 32932469 25242068 23958306 25804866 15736082 21956623 59096072 55225351 49578437 67554657 51182696 54833316 60921524 10686633 91030040 57761989 59984390 49460873 55193713 75324541 61186881 63258530 53739430 55430175 59910332 58060581 54127167 78755818 65539020 76406219 59495498 71778814 71482855 89495405 60156747 59735719 45699379 42203083 53015162 39450056 44983837 60138087 50028979 48677717 49665842 48615881 50160048 57938313 59726294 57976455 57305999 51937150 56399098 44644046 48956265 53667393 52947508 44583930 58168960 61394151 58678012 60631283 22404435 49749807 67248963 38284612 54404737 50875079 37450597 54489394 35971361 55800412 57690323 49437636 55101861 46093278 47456883 80530737 75505169 56770786 56112918 54963237 54194395 55362209 50498054 58419332 70708825 48424576 68529516 57717737 65160177 56432687 31487221 46388500 74921273 57292987
gamma-glutamylalanine 193784 106642 70852 92503 35514 70857 133100 81243 154289 270452 141580 119717 90312 53811 228479 52216 534367 59042 245088 316284 332842 45439 137216 175565 121463 119139 106662 274612 223695 59588 324091 216657 202415 148450 55628 124322 279366 174690 96201 177566 64963 242572 462959 207590 191797 185323 123241 127396 234123 408670 127525 203047 239792 27107 202577 123797 97192 170607 133016 106548 190828 110233 97760 99052 208816 99205 479408 145820 105754 488328 67075 141328 717168 518233 284796 566303 338245 670880 612310 957055 364874 391093 131881 705571 1329600 304545 1024098 998828 366593 188813 571978 892982 750060 778393 888207 181276 1289967 421643 238212 809504 429028 317772 789679 392687 307271 795028 335330 513546 289634 414174 672373 872464 426173 765472 287214 436222 446083 727150 576355 515464 95148 504157 176677 572164 581678 943688 792543 346838 352099 573592 291045 589712 682205 428108 601683 362307 651087 380121 520093 914145 505612 590719 636619 287446 1223744 307431 507778 1057654
succinylcarnitine (C4-DC) 305786 410755 260773 555932 168498 554802 170173 358422 290791 326651 295770 317043 285953 309059 503643 401443 433595 319661 304509 273902 152200 461572 399606 403631 177708 587499 270510 352174 1019928 367193 124180 173548 268683 153074 129719 229800 186258 259246 144534 322735 383627 255837 229403 425731 467035 319182 271554 295021 261888 245037 350449 359274 523243 259786 299750 789929 377762 291607 505136 362628 253496 328408 362355 567643 254055 237691 309921 243694 802074 237694 271071 213297 452881 255720 174508 310833 224322 404229 550874 355721 270248 310740 259239 52840 430153 294409 252198 571670 387599 156382 1697307 187646 436637 294956 133903 356541 485157 427263 216054 453769 469242 172413 205188 133185 149751 807671 204837 665996 1280954 1084805 1587004 1323273 1030576 1782322 315077 1280012 1402380 1903416 1139984 1228011 1609403 2132445 1781803 1401454 1100300 2202921 1812695 1308087 1932516 1532216 1990875 1465744 1669042 1833788 2125484 1850301 1355334 1487559 1307223 1872304 4789735 902084 1570823 962473 1162427 1428176 1584586 1197986 1605947 1456917 1921841 1645206 1209076 883433 1275285 1218328 1293599 1255317 1318372 1277083 1492732 1049779 2181362 570089 1599937 1889566 1751429 1126449 1523719 509083 1196085 1580764 961967 1055546 1450112 1261025 927572 852310 1541972 1900142 2225894 1020842 911862 868161 1343919 840906 1458102 1740555 1975196 1884876 1172310 1915881 1692287 986363 1261145 2241306 2041037
N-methylproline 4288673 8409261 2026183 20454225 26247351 7549611 14336561 21571067 5161615 14520158 9877697 9610125 8178044 3721183 16363824 10583486 1873765 5792279 6846273 8212984 3075958 5427063 13967138 5414504 4516249 5337519 5768111 3732618 4333910 3106705 17987994 5104773 9778546 1764700 3996404 4618401 2545127 1847843 752116 1475167 10321283 2842741 4066245 2049416 6486069 7316109 3690377 155959634 8111766 8978866 5568854 7613418 14787052 2421543 8306093 9230671 18242636 11608484 9487362 6027804 2592246 7663875 26510209 6877502 3821513 13423716 3325304 8754100 14422118 2380589 5561454 9636178 6880629 3383222 6351633 22081009 64395115 5879698 6919058 17884460 5159870 7071652 3965078 18435831 6397765 7649495 6812968 18143083 3212081 3974013 21985438 7352525 8540852 4270016 23185587 62852755 38823632 21921467 42739820 4966199 41192407 71043736 5168596 19363599 7662390 36599833 2622159 33265020 2086040 22169172 2814733 8053567 5238462 2827846 1930871 2637500 2668261 89848733 1460486 14255392 21965454 21697802 140318139 20018636 36924424 109355381 95786953 6626101 15660145 185157252 26120281 14280317 17168956 65065085 55805150 255999379 319154147 38235087 26717494 15981221 177755315 80394105 30560778 209117458 30492584 19955875 21516974 38996965 25844393 30883547 20897897 17080489 538011169 13707061 14896225 10456583 14540996 17775297 15501941 308913977 41332469 15783935 150030867 53386314 19123009 22723587 30463694 13783408 9554001 11454616 173693612 11523409 41987440 18615771 12936048 21467143 61715865 91085634 453666581 18610988 27467272 29473754 5467721 15968561 21491873 4780901 19099353 48131229 98211250 82477514 15295540 34157787 27308263 99149166 27380325 12487095 12471321 22961225 13078186 47474009 19852162 33409360 10295917 37148474 156596235 26612739 10409569 53137264 984228652 11415478
cysteine sulfinic acid 400659 404926 343286 290663 141235 367146 272088 197903 289560 363852 86861 591230 269118 231243 348968 144435 193142 385013 150401 297755 276944 134744 183817 139696 647467 52051 230947 305115 201528 432389 179964 355004 215357 75277 473591 124107 452872 58876 333556 171493 247526 196042 349879 437889 518078 450984 376988 424548 110721 248229 251346 459668 354307 158219 360227 498544 319028 572176 42633 161669 249097 170740 281665 263724 256456 164565 376957 358358 142282 281449 638321 207140 419112 110044 204805 99244 212682 230857 126487 655263 323294 415686 493899 210982 260970 494910 197597 280739 265292 179516 118774 93766 267192 314607 339982 1247167 691820 301069 328251 260272 178303 85955 173721 164964 362764 176992 231969 191185 195654 323269 102474 246967 112029 107903 160851 115193 148991 234826 146678 155394 124778 200780 99358 140026 113899 97143 115976 184615 391885 188022 138582 275224 250849 112944 158601 183294 123482 160582 167796 112165 67860 114069 140410 178929 136393 93591 95759 154668 119813 118863 98840 172781 184607 166797 181000 110266 175458 210207 73082 132304 188536 204980 125417 87610 132285 86839 85915 77159
ergothioneine 652773 682356 2774596 204299 306917 757245 151095 407497 1542505 609242 1654467 272859 410043 291694 787380 212740 1837417 582994 4609294 899315 465534 761437 221160 734312 420146 1361259 448523 671757 89462 329611 808138 1812791 296274 337140 1171349 102552 453242 1716439 679383 634046 671604 876427 3957785 816579 489085 731285 824580 3485492 834249 1015474 2819182 1261760 187491 762684 310415 1645189 715158 108386 4056566 545109 147071 1744968 1306603 102009 357607 795970 190631 327582 7644288 180655 720791 1935790 840869 1601340 3049903 294234 564777 772769 941301 4227737 906173 1006081 1740250 485808 67746 2302306 577261 1210667 2840302 2317775 9882171 1565043 980361 773547 1860370 1075123 3880207 164776 559867 1443291 1389701 433314 969776 2302619 152003 1129211 260102 741595 8374471 2979748 3656551 1501383 3812810 2880625 4339706 2565537 2490508 5240921 4016796 4641982 2486155 3706840 3493576 4107995 2546334 2416468 3644039 1734148 2464054 5818406 3820654 15027276 4848343 3217313 4373812 3339802 2331864 3646874 418503 6269254 17515427 1498771 2804476 2061344 2407237 3682896 3853873 1002172 1468527 2674173 1564295 738961 2534456 3531594 2613389 3139500 1319167 1410848 2660427 5035003 4274415 1273196 3045930 1205545 5216561 3529394 4318400 1573480 284712 4399489 3843947 3789199 2484390 3327565 3674212 1090252 3488161 1524778 3234810 1507698 8368001 2928183 3644235 5622213 2594805 4343529 2435667 2656737 3189077 2996320 3307286 3667567 3057881 2426322 1600965 7714778 4043517
5-(galactosylhydroxy)-lysine 546194 473691 60868 372486 36265 145374 273654 93639 458269 207362 383101 430564 211384 512331 452651 283762 415347 714590 410870 483563 422164 675204 370235 343571 153327 495224 79784 36456 417545 192746 884938 202310 95334 142597 164911 308819 213931 87391 174924 236005 382839 194851 227106 265762 301952 134580 128152 441773 222142 388983 313526 176156 436062 326146 233479 315393 99052 584898 155065 701232 228231 153204 334803 266178 270491 724244 237272 339835 148071 176905 123856 200872 205432 114407 420791 402392 172861 184144 124203 82045 265935 220749 444439 324135 386171 199946 693465 600967 147930 397794 484506 439640 223257 184786 106231 237446 379057 533982 133759 951616 571389 452259 271145 379502 501661 238597 415397 851132 475537 251338 919016 1263281 613420 815824 292495 1449400 347737 433350 409002 576625 496407 431669 400046 382152 467479 1439812 537604 557507 703071 1167448 502696 294135 541832 754780 1800494 2022899 207317 2828933 1289331 375079 998110 567548 861565 1092904 429821 488098 825662 654783 134432 977449 417042 429127 1260903 991145 724200 287928 594180 691816 195595 304217 360187 1704042 1124595 426058 847959 587953 296508 320576 610172 496779 604788 428499 2091277 717711 496884 846739 422650 416159 811569 432875 803633 978319 478372 812934 277099 435561 1066766 312342 1002179 476311 221497 636079 1368342 554191 728946 542437 616249
cysteinylglycine disulfide* 29923860 20737510 23765677 22952675 27976787 28544075 21774747 27813708 24558388 19665410 20291678 29958124 29821011 20501550 21514525 23505323 28359080 22099340 8838483 41814192 26680668 22362356 17500443 20366141 27942477 16086428 20784336 40204134 22780264 39744297 17139064 30061659 22159032 32379777 19389402 21766087 21892700 13670733 23916313 26388421 23732518 12819963 16152220 11397544 22968779 26353765 20968624 23955337 35337819 20964219 29217384 28067660 24664198 26683993 23187230 30061334 22163578 24524164 23632998 9678703 19386746 31809747 34148314 32041194 18346315 17800138 38390705 30857607 24042718 41387860 31425735 27577291 25727456 32054019 25542286 29921771 40142977 24562948 38029950 34420922 20978138 24510423 20080664 20649343 19978318 30210903 24458220 29173364 26725523 24277720 10201278 21550485 19734386 19245814 26494375 28648275 35086806 15162335 27790064 36589366 26632730 16895181 29093679 25761116 29918220 23329732 21142618 25216635 26258182 19603025 36247910 44869196 28546559 19231148 24627125 15240515 20941111 20732568 8976954 21107624 69877507 47078768 64410654 61325153 82469942 65472980 80989215 9859618 106255302 73042886 54767175 60651502 29776623 60182917 81764471 65644295 77969183 64212848 95832850 88276195 85530705 64011172 67866562 70015334 80573449 87036057 87225183 93316837 65806286 70123555 49051447 51028289 48736009 119202575 65221757 58988707 77250334 61567718 60462906 58554590 64899134 59704305 49009155 48530667 54577671 72145142 79537753 62982598 70166523 53390038 81111665 61288827 77676034 72155655 67900772 74533046 30981257 74532908 84891826 60183295 53767688 52366903 18731542 56486179 69240627 60084657 56510571 67068844 61643812 64101616 49531938 76287651 55036373 57959910 75911893 53793824 83004062 78460323 48242837 53466068 52456111 38655841 71270480 45946018 46674268 61405876 32898720 63258708 70611706 54112357
formiminoglutamate 855168 201647 47458 217801 39898 42921 856495 974876 211944 127043 258809 162738 196545 107559 314159 392717 254736 117918 424183 139463 187200 179735 410720 122762 231952 124700 563147 110540 417646 207050 159798 185637 160089 202159 247109 255431 207635 248172 158274 45486 579845 202481 102776 168885 289879 559368 172830 193784 132860 111335 110755 211415 275648 612122 250791 241049 225908 238892 256332 235585 115088 195380 354392 125079 266548 101071 183982 221380 97976 264079 244273 179082 265330 265018 408802 120442 373781 249264 177076 130499 178620 260355 228551 143305 269713 383722 579162 255955 418520 64382 186885 240149 239146 272862 446392 65439 284481 223016 309930 185755 198409 51031 224576 225762 202269 379088 185479 250512 209792 403968 198714 108342 3755821 4546608 1283776 1968153 3435285 2276937 2465320 3002581 2007517 14010340 998329 5393632 1741177 3607072 2223260 994308 1276313 4855289 2645344 2045923 5351459 2823697 3935475 2487551 6699199 2210784 4244947 4314238 1192177 1514962 4800670 1409712 1825958 918221 775906 1872344 1438586 812398 5470110 858258 2074667 951477 1832764 1082533 1890624 537804 2519344 1431049 680762 2586998 1621085 2318410 1904624 5722268 5904053 927576 1457716 1316030 1441026 2010960 2645300 858013 1037410 7729375 3360557 991956 1435745 1420339 1544203 1520193 2069853 1881850 1309295 4047314 1723483 2354123 1795241 2774071 1588779 1978866 790668 1699293 1886984 2411458 2653346 934118 3083566 1993683 2169177
4-hydroxyglutamate 1015856 342427 301517 334788 216461 452735 174600 300030 301848 349069 599977 249325 153506 342210 342268 294972 101868 206744 343561 117216 316198 517787 267253 96475 164319 111591 313493 209401 263716 209791 316867 620940 188812 84466 251227 97155 117063 164218 994567 110612 362500 338946 317158 239235 190798 176348 412877 569439 305327 207441 316740 228794 237001 155512 172436 415394 298943 468131 512728 346388 286346 197671 97785 232886 229458 138754 116982 200931 109364 70525 364524 171306 206038 281485 221926 351122 121817 120754 498563 738812 174552 221952 275921 237197 134359 272653 254195 233948 1331016 716311 479356 755339 477762 194852 705203 141931 302466 421187 149604 386289 168029 235350 101113 191596 105733 144395 84374 121712 246713 455167 276927 427055 219024 158314 247244 436953 143880 610992 418345 405538 534887 327374 362209 1290893 434262 313927 405771 361988 869274 296897 801015 642880 239462 946971 657104 599485 744843 1099787 1128264 238599 1204242 2008377 1199012 784559 276485 2269407 215739 531186 675297 240683 1163627 201342 566902 287165 779448 416760 591312 290171 688483 249985 232963 321221 1022804 643577 323133 754341 593836 449224 565422 473096 1289980 446311 766589 756192 623610 554840 515246 713409 154747 1739126 880597 430230 325273 124814 284805 526861 644389 440914 616514 267422 179713 596926 569188 1150112 654177 121248 469492 468580 800806 1375754 723729 537653 761698 505803
ranitidine 54809044 4651334 3879032 17620343 54642022 13608722 33188840
pseudoephedrine 15003004 ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND
argininate* 2164325 876127 724909 378865 652538 977242 847024 815534 302469 3802830 557885 348244 574191 1553606 1081496 526298 949649 771451 1104617 322735 416634 231501 357591 556315 113175 170895 143528 124724 332345 729172 847975 539675 637024 443403 519346 255698 399605 1253131 2013464 762287 656920 214198 925610 508266 439793 1148094 182245 547239 373780 343370 191031 221372 317677 70301 231308 399611 105012 452295 103287 682170 211748 189534 422548 463041 212170 188866 1667213 916637 971360 651775 420734 769762 756099 302603 757515 277039 1085580 1752508 342162 1710638 561267 524402 899847 606385 330199 388262 349614 647901 249079 377866 303568 98143 116263 313766 370169 293059 478646 1250002 1697976 1443600 1633079 1708073 1533029 1766979 273367 2518236 3274027 1539825 2601279 1712319 1776810 2923182 2467223 1560021 1833681 2800762 4258170 2526548 3898060 4515856 3501456 1219458 3952925 1369851 3122581 2631079 1434637 1620545 1446037 1306987 1314155 774784 864311 1301957 1855190 1821696 1183665 979728 1367355 914177 2802510 1373453 2598966 1335972 1598896 2054615 618467 2236654 4728154 8436604 2091234 1299968 3968480 598672 727321 1193671 1362442 2961767 1615078 1121369 922790 2025006 419742 1608814 1529504 857480 692666 1666532 2263623 2696706 1137713 1205059 2455213 1366335 1231271 2273549 966142 875952 2028162 1740210 1958341 2731297 1015448 1307465 1512235 2977820
2-oxoarginine* 1880004 803464 847982 624116 316476 985193 1348198 1432444 806100 1178244 2331767 569654 538560 977410 2529674 1531543 834074 916124 812315 979410 426692 587531 675690 868087 451740 335262 966329 856111 212192 539218 245944 544164 376546 463906 628253 639579 149804 696743 253525 251250 1469141 621428 674098 869473 1233462 791713 1169630 833866 1219947 2020706 1279340 632117 882289 925120 867498 664901 951749 754969 978613 789496 1011281 958760 447950 639502 981804 787633 1226720 875199 502811 639425 425840 1258899 659077 687497 826957 1262812 364693 221817 587117 229253 519515 1909129 1394186 856183 886887 1039549 901187 644506 356651 1173536 1075592 1473945 2110329 853320 2841618 593629 498023 383185 556066 884803 682806 778262 717633 531582 664322 362698 791973 322759 422616 263586 610133 698413 571567 674045 283907 988046 195713 585389 220841 450683 1910092 6773520 1633443 2426502 4044427 4077997 5121714 150607 4981544 6037686 5352205 4268915 9353697 4903798 8416613 7243954 3340991 3446578 9369919 5430468 7490693 10532904 9233767 8083408 1621863 11749485 4545069 9271919 10153997 3402141 3479226 2811480 3779533 3009022 929900 2278661 1268412 5144201 4900012 2985363 1538619 3966483 2431174 7733536 2174833 2122412 2195801 3768988 4207235 2178073 6134360 9565187 6244034 4786433 2904109 11729998 1749024 3388777 2368633 3826487 5765483 4715401 3693275 2290963 10105363 1868987 5915817 2386217 2424029 2115335 1832751 3707990 4332259 6497077 3733179 2623640 3996788 2163337 3242438 6922638 3467495 4826932 3439537 4416016 7852019 6727801 3326083 5363563 4440981 8186673
1-methyl-5-imidazoleacetate 11540370 3218195 997365 517402 240637 526872 530568 2969346 260984 2814710 409118 757498 5417166 726508 962901 1511478 213916 714306 1172627 390537 64551 954044 520160 92457 144118 1358130 1038655 1293184 436297 410706 175983 454654 40322 111660 1202152 331441 138711 419620 450612 227901 644425 352167 500567 13654067 833796 386684 370999 381844 354200 1460154 717928 1090991 426134 492925 281627 109871 352122 594114 103813 601824 1063418 303901 188985 287928 58618 1230187 105207 326571 3237299 1212393 1428462 1753268 1438389 804308 1929892 334283 387500 892414 1902735 7969050 1375707 1182281 876995 2373026 41110 515582 190308 109265 953214 1339450 336831 189247 485073 415455 66593 1425803 272206 1781378 893852 22931 2741488 2416498 2421138 2770101 4618090 5089740 656314 6929559 709397 15481865 8569698 7774819 2501883 1536075 1336127 9023792 1200756 4138045 5905455 8391335 541601 7694442 21646835 8441511 13788488 1681236 1330498 9407630 17365355 2309388 412888 425415 3290106 1058968 1257289 1512494 7512480 5043786 1762744 9521066 3735833 5412948 618126 3374015 1657506 2480473 5019525 12916655 4616352 706686 529663 5841883 13971808 2876104 11296758 8090043 2191573 11261960 3275989 2717848 1653684 2708966 1465571 2686298 3314337 9631556 10893785 3315528 1574382 2040539 1151170 388005 2737689 1833777 3074905 10125028 4678602 5390407 2863160 5657709 3237317 2319031 5944881 4018149 812128 12676825
S-methylcysteine sulfoxide 3274034 4641742 5750085 3731295 3259393 2819980 2886710 4300031 4369439 3206535 2845472 1624783 4446717 3191224 2054792 2197415 6102658 2908807 5044409 8867029 4536925 5177647 4348741 3698071 4289562 4698295 5142927 7128843 5001298 7773390 3786621 5109522 3742707 4363183 6689697 18105916 2083685 2002776 1882385 4237333 5412184 1205416 3439719 3091255 3157637 3580089 6291680 10343863 7989598 1713105 7382874 3264399 3229688 5403660 3359051 4682645 3410088 2374509 4160647 4038989 3799261 5909209 4937536 5004052 5373126 2740226 6205888 5948730 4785789 2472678 3204657 4181002 4748923 6491497 7243218 3978290 5858600 2716028 5709310 5511965 6191675 3937694 2524276 3493329 2438459 3580654 3799733 2701887 2140173 3109571 2766962 13629523 1449675 4571119 4238671 2953005 6192140 3328467 3390932 1809261 3480643 7093030 4258933 3268840 6466970 4242919 4613453 2388839 4512727 5530160 4267503 7039253 3872919 7003948 5302417 2783482 2490834 3704933 2241704 2802583 7205648 4481965 2698691 5426472 4152221 6253217 4644252 487478 6487238 8084033 14400706 3437780 6529167 4274533 10436400 42685978 6383820 4135073 9289576 3074758 7686533 4767782 4744986 4979190 17880978 13078801 6220690 11413398 12421475 6202427 3357944 1690312 4665956 2047509 3165974 5622372 4855733 10764455 8868187 7740880 5565781 7641389 1935453 4215548 4096146 3873879 4283133 4657655 4642448 6307279 7564760 13462727 24091927 5373509 4387642 3323824 2480242 6454359 8171455 4828772 4299963 3284439 3742886 7068279 2225071 6085869 9977563 4018123 6478587 7207077 3245943 5143599 4050553 3835854 4626124 4776643 4920753 7134873 14933835 9551637 6401035 18847444 6873137 7116406 7446048 6345501 3479756 5841994 6806165 4884677
leucylglycine 65934 127508 151547 348038 147817 256606 237496 169030 254199 396664 58325 105202 235686 352500 324172 208182 802907 172345 77157 400352 245428 296167 327828 203384 164798 216056 191617 174915 54691 607567 138016 261708 243384 48599 139920 147320 94994 200265 207546 161616 173931 120065 371749 102886 188050 314135 122411 104584 339401 240353 455943 272689 241478 354916 336436 123475 155799 234466 341965 413946 115888 132289 108957 200437 113862 133475 433346 219562 101655 85109 234456 273114 98924 122331 110485 102336 77233 71735 82481 138219 291265 135679 281577 217763 347029 186518 252323 739865 153219 118199 199357 114226 507840 366789 963395 204150 207600 278024 814501 179170 232622 63905 150775 252093 152040 261876 113265 90791 312500 230638 76284 289992 127971 107792 145149 194798 232055 606591 286137 395538 382601 362352 616790 268943 115198 185775 242778 328216 776696 650817 704977 366989 421441 159258 157122 344694 669297 518569 141279 566631 305551 332868 910709 845280 228582 240737 383664 301029 170595 302287 214068 139078 478852 147361 126088 175952 339631 219009 162328 397667 181635 144802 280691 148969 377726 142791 132370 511646 307633 221936 280990 309388 665443 306811 685536 378738 168486 96072 107294 1089446 486291 275813 219997 188920 195482 604394 365031 320694 371836 263590 232520 456043 246052
carboxyethyl-GABA 91405 32192 119938 148152 124420 140626 121315 100150 123786 188745 54461 66636 108444 119356 131721 285505 113532 180729 43472 48122 109576 149963 140031 124137 89856 102618 144958 85713 38969 92512 210108 119641 111568 106205 72213 191122 81874 46564 105621 83551 160412 105075 174202 291887 203358 92131 219286 105695 90813 98606 85118 121634 125101 113762 131949 201083 162308 170076 107473 83930 106314 111549 64931 158497 199451 81313 82739 102251 153385 35260 58368 149229 125095 47804 77608 62368 113032 168220 133228 64141 94411 100954 70495 74171 142728 177997 100390 160314 116065 141503 168118 175739 134037 67509 181654 216473 70560 131638 134503 173523 184109 97986 154153 67683 84173 92667 110020 250612 720808 770236 718524 529138 344547 541042 460201 298764 485848 517812 534306 479129 604885 1020307 608450 567212 282854 433378 449237 463630 1643559 448824 456988 452706 292156 550833 479948 300356 812706 585701 601118 542636 610003 578280 528482 542595 509913 679370 459567 467222 370299 1594292 573010 911974 526607 410687 424388 311714 655174 418555 644528 371265 322597 408586 440820 472600 449094 436626 371709 442230 705368 608644 324261 587242 530447 493593 532962 356284 604434 536108 438958 832344 502542 718207 536958 567988 336588 464876 451453 567079 646130 493842 571627 969176 716515 561359 386713 462281 417335 554047
trimethylamine N-oxide 20456502 5253711 6576678 13684292 11879465 7123582 6201535 8741753 19160719 5716138 29323597 11888406 8588304 7371802 7558368 5617869 248749 9173054 8681842 23179622 17791426 2904677 10431448 3360887 1296699 6035642 5360477 2268888 872292 5503478 15523235 4924796 5135034 9134657 3749486 11402455 6023402 3745557 5696566 4363522 8389992 4631327 11907742 13773651 38283406 2838988 7738574 10752942 19497704 15681499 6347132 4029102 6136108 6695429 7251152 8713063 7897588 3640684 3875016 12639459 3761509 3397438 16291186 14419697 5208166 2616530 7060604 2633018 4100656 3761393 634223 4227134 2263785 6029647 7358998 1273372 52510537 8515822 8633629 48393073 2873797 57264319 60587899 7236849 6367818 6558125 9851278 8315270 3398359 6855155 2731178 6052132 17809914 9284631 29071985 15130172 6033609 19079009 19233108 2958018 5371589 3832757 3147980 2080700 6291845 9358413 1484288 1272314 808702 4380921 5972424 9035873 14360722 4677588 12414734 2011446 39859057 4956002 9671878 3974183 15256161 23728493 56280809 29370091 65404809 91690740 101629378 8772255 82716850 38064058 49591734 55631523 35098579 29636516 57289640 46094265 212520938 119632314 35209389 66211600 40615458 80373603 59604743 54371552 50905761 63691223 66758626 146684932 41152876 42523357 71115553 56905476 30324634 21507906 37778104 13934453 36406652 31640389 10712451 36078903 19667915 21579511 35941194 36122787 110339557 90471518 32170176 86570770 73452807 38895342 31073520 45364147 51494121 68426719 39226088 82028100 14043491 71982656 40189756 17335943 65971161 40516689 57618361 36236729 34808840 27531242 26151066 26438174 34520031 16587898 27697663 28994606 45215134 49625086 27298634 39896723 66553000 45370230 86548852 50107335 34766589 27040577 36049756 34256677 40396451 77844947 19013159 15812443 106397809 38541728
N6-methyllysine 32276738 33883648 37547306 136444202 21162611 89863119 50426518 103955668 104055104 32700992 28128349 16624277 43475952 97555058 106873639 31119112 38521121 22089994 35671619 40460448 34390006 16727318 166306256 40287684 65510381 107933415 39687343 152264053 74023689 249546609 24605037 24263099 134856681 138909021 126289429 159159499 41157207 111117310 11770550 20340603 114615070 13756812 23406867 12696434 19437372 40636989 20210513 23379092 230615586 87262182 106755381 71369570 34204733 38890066 21861321 47845002 34343420 37918137 22278656 62131448 154012158 39220688 32577779 189057593 39707499 24453454 41784825 118183092 121658926 82880972 22390077 145802350 51442464 36204742 141360990 189518024 20005922 29704194 30782389 24404110 144012673 119375285 86288057 32161720 98487088 19673162 42466359 20769495 35656987 103803385 24764269 41832898 89094241 16975002 40046225 28800484 86380559 40001262 18926790 62502988 32414595 24722797 160866907 102080744 234792975 125764176 36449100 73964073 25222284 46277286 20781142 25532889 113571895 199220264 215423716 30354602 75308089 36204554 12412552 22558303 83417922 39391128 58839922 60627981 43961540 51508058 56689717 12752617 429446437 297464708 193847214 24465686 76492780 92451754 174363499 70392022 163800802 49982577 103233663 45859479 52884839 66956673 251983699 221615288 55421694 337466444 24924084 477091854 71934182 48261230 137164224 95612480 37062775 91409870 103686856 76156803 175713829 153988005 38852652 230004121 177883421 249917434 66148204 189206589 34375673 47996195 205265317 23314784 41344149 38348193 42906252 27492124 256464294 61696523 90279634 244089416 19929831 161357791 146235170 26602719 70889050 158333945 19281050 45175546 35044982 43415299 109794773 27584933 30144132 259215854 66336911 155633917 183191438 140379716 50735695 57580634 32756804 56345679 177005084 135345288 55022650 30970070 257446538 33786608 33397609 214683309 28323659 19693660 184562004 70719766
imidazole propionate 263088 127053 1582010 194600 155788 177683 493917 567522 235664 594371 231626 330692 163079 843020 196746 174089 380595 190973 214117 142008 145195 104185 168100 327929 358422 184267 109014 179847 346840 285664 517201 158080 91184 123438 231986 180445 104013 238548 249825 187983 524931 83174 77775 170432 249799 120539 312695 532056 172712 392755 274358 1843188 218752 177901 234790 196442 178071 448556 208432 909766 622865 725808 1767562 274547 190444 232039 383970 233753 109846 242317 335884 1498063 174117 458181 2053190 829133 1040969 153917 138392 198718 988215 126794 261964 176872 477922 212021 83996 965185 427019 153188 516277 215090 155223 121914 216718 424364 478995 1867222 150233 272273 571837 225225 1141209 720539 1422699 238185 151782 192780 229683 154946 209116 203776 146564 216910 310291 144159 295804 2851640 1180256 475031 985983 633737 775317 1405611 591472 805203 921986 535548 3536792 1390214 1450670 707806 729341 1050542 504946 1070145 2301778 774029 1375515 1943302 889162 484340 735475 3533058 722363 1762432 6372583 1707711 734271 1064593 1563975 965615 1107631 554859 1016374 2863222 760728 313726 711272 659848 462354 784973 617005 657767 847529 1066033 497109 1436289 1069128 554536 832767 801374 745336 379791 567548 2203379 699414 825463 1647680 898896 519237 1215020 1365611 1905135 612211 3106161 2132177 1236703 2296250 1674328 1681811 261824 467299 712554 890357 693736 1506526 831273 842004 1511209 1050462 1133632 869303 372758 2296066 4589576 1035347
alliin 305521 104297 148503 246845 547919 135129 123450 87052 137425 537079 421366 225100 98761 781128 343557 78799 230776 446461 111951 48403 161747 407642 3619606 69710 623187 51968 80378 144834 811096 165593 153686 340133 1139031 387002 482371 297425 307322 142844 111025 161597 145867 597957 75329 137171 404998 392255 478497 145863 154588 685051 170483 219661 499660 356269 534101 77028 156162 272749 180735 188890 336551 153997 85736 49010 60181 229927 133147 311563 346205 1849086 1036549 1114230 1279592 2127633 276022 4166655 374212 174557 2992795 2861829 1263747 4131639 347531 624950 1179669 356257 405804 451162 697645 419370 139614 810210 163207 115948 1625683 703929 870532 166165 492987 645191 105383 200315 377215 115724 1714003 285662 227424 1216536 1175109 1099630 161906 2006766 148976 1594654 469271 5783621 1510178 2124271 6044169 247009 5919789 2042705 1129438 620208 1354596 1451033
prolylglycine 1826130 249602 204303 733333 744687 677614 827595 403232 447850 758739 237704 211814 521835 664716 303939 1203679 447255 405650 195632 299804 273018 235559 313450 310497 344629 148284 328619 335712 463623 314572 364651 324779 471127 238632 101149 182799 97630 1663042 143365 248108 327581 2151171 469100 544773 820960 1636491 1595866 518196 668898 519592 486445 542691 506176 234454 1852481 132504 274877 194117 457355 591536 203749 167372 232675 342329 203834 434732 322506 383161 450623 448273 263745 391992 640471 347730 543848 533046 508305 685843 584074 504894 593958 548107 531501 296545 844029 786911 3298686 1064666 320187 1037194 145877 219466 170062 272716 416033 109041 204122 677178 370390 343534 340355 326443 233935 234423 142328 383751 700712 246312 331464 434740 554661 278197 485288 303654 202314 549993 2770520 940986 1045752 1460100 1128965 3125034 267548 1020975 1203773 744577 2974152 2095556 3748590 3580769 1832568 737289 8156454 762652 3023094 1774759 3967420 2181712 1246363 1813615 3047769 3743478 2288004 1072267 848053 1229081 1423591 348467 911978 1121737 674630 1187887 2610513 664716 1350322 833015 1924606 1363993 1022023 1244525 1033639 2515478 1077339 1371499 983164 1270861 2886950 1297050 2217866 1295714 3483946 1038172 1265550 1142072 926439 992754 1140521 1766890 4045566 1464886 1855169 687143 772950 695429 1730383 2232554 2012884 320281 1095947 681370 2083248 1918961 1224484 1896079 1998645 2029408 3227635 4923873 1074104 4199496 3012409 2074392
lanthionine 167000 82617 58668 218359 201979 106061 364512 128552 214784 60861 454561 159618 103506 215163 434083 127524 83197 91822 74298 152276 84797 73562 137419 86385 87868 397812 238122 409671 117886 262915 100985 126427 426225 214384 266904 91097 147255 102639 62419 67999 484162 296545 57141 141425 91023 85406 166407 61241 94973 74462 101953 80003 111344 111983 74290 77594 70971 212640 48924 512258 58425 398306 119768 87701 320808 312212 181818 193463 72986 158130 109594 179160 128063 156027 70488 83153 88992 70742 45884 74372 37621 55963 74218 44115 85870 667450 254843 240143 475317 287677 616928 254701 3207430 176153 2376548 383964 512581 823999 309685 449043 411440 388714 572511 511136 559468 336447 423581 304326 725528 471583 450915 215929 204022 2458136 272932 546971 367225 299746 673276 605187 984337 315875 322641 375358 1349661 364867 356807 299474 263147 357637 413091 430753 437458 611811 573938 234280 383853 221341 436587 578087 610034 523788 298168 1043058 451094 291154 1060270 490707 538841 412941 871446 279367 674007 468936 4657855 205553 750115 452113 384068 474309 338418 776711 875698 585865 493288 1160030 619089 263694 2033226 1737497 323202
(R)-3-hydroxybutyrylcarnitine 842559 172486 372725 618804 191799 625999 522619 526805 1320628 827068 559075 1099087 6689333 1325966 10024278 14387184 4229003 1380415 588035 4960228 3619069 786294 753504 6589550 1695461 834425 766486 2257749 597252 3079095 6148827 2568099 1119419 514756 479300 136127 331382 3726471 398094 1049841 241757 564106 377151 189052 2587917 6556105 1316847 661858 539334 375066 354862 972638 239695 1310318 909171 600653 3389155 1615590 2297257 295402 1631699 160213 511826 160626 328658 2535344 851415 2124304 7114652 1813011 2297123 22049724 1175844 3398707 33545778 598166 2046691 2434682 1674503 625034 3336971 3166960 2385868 8834159 697632 22980272 2916602 2312030 1160873 957593 4520290 2089948 6325448 776497 1079577 4117598 2961533 2472531 1220747 608340 1282049 1558534 4012984 943620 2199651 696014 2278680 10374194 2267000 3188476 10096755 1557402 837452 2572697 1011106 1023650 1163774 6795305 1015528 2826754 1317458 417337 6301032 563410 1024844 1263108 2077981 3515724 848127 1065843 856171 1297435 1224579 1626806 1497947 2722363 1649761 2912164 1162772 7748194 1062861 3505482 1650446 457428 8939161 2017409 19523330 1117687 2241722 1366497 844247 3183118 850354 1815182 1521523 1710090 2985140 2224448 4257743 492456
N-acetylcarnosine 1122182 417680 384220 275937 376846 104937 1075320 580579 84445 359217 601139 1105514 507524 1059924 286421 622164 88694 1278668 207775 496087 83733 185206 1999320 193716 142930 1148879 472211 1671297 453804 632556 378043 607743 904231 605752 622792 451601 271783 336851 573131 89021 389870 234856 422614 456389 865190 470594 1525131 647767 444857 198067 119727 282604 581810 981827 449621 300735 816399 1037451 883271 874730 1584588 815457 914281 858622 657199 240753 633886 794815 666216 358545 747184 884967 1409569 798310 491271 646538 787124 518237 687145 595734 384695 105436 280210 169334 298163 458846 368740 784418 589552 827683 614970 59156 727174 255712 566992 233380 583790 269985 240131 365979 1040328 365546 488700 313299 394103 329928 674411 1044823 813672 661153 1263613 959721 80793 148271 54093 676547 1697698 1011217 851347 1310769 3041417 2107472 3620540 2444401 3234300 2110329 1152186 1188437 2693760 1188463 1347803 4362899 2529712 3125607 5881371 4337903 1624324 5034754 2148288 8460234 4030091 7916889 2769396 4625482 629638 710018 3736990 951398 3267503 2393276 3471504 2682830 5192049 4795816 2016284 4955772 109559 1788781 908523 3124387 7230128 3056636 4438522 2816320 5936832 4832851 8225387 6346437 6769507 10610694 1362916 3353478 4761733 2428431 989822 1243707 1196037 1285134 1672103 2413637 2963286 3376032 1594816 3272194 2722460 1642235 1300692 1860186 1568322 2965422 3648245 4466104 5099074 2898626 5188657 922098 4852754 3580699 3055140 3090709 1576450 1558852 4387449 5933104
histidine betaine (hercynine)* 218620 96644 331541 91559 162015 115093 35344 94955 178600 154708 117081 147799 148070 142476 208881 96906 263433 215201 1062927 201259 173222 188873 65332 137015 49789 79093 314041 320313 174065 67404 116053 21717 158781 137690 125757 55403 69996 159456 280153 101756 121425 81870 96534 266009 123821 150912 377806 39309 203854 40762 76364 44517 172544 25275 109990 46790 120274 168649 26893 50516 494459 95050 222661 106765 292669 49313 104180 540186 149399 84553 106405 231231 86295 130247 193068 1079950 147368 57467 169712 371586 26065 211095 189242 167486 136996 29212 52201 838373 252130 198623 222634 291798 462662 301069 258724 883390 359087 263715 100360 377470 507162 357727 326688 206820 159155 292344 878953 497031 869149 524583 550680 535159 385087 409666 385195 58931 981976 1783514 387058 416765 222247 344783 837933 611902 190226 226746 67977 211175 120651 593374 481372 207789 468086 148552 193258 409322 583327 784259 243199 340811 201832 523710 441463 480557 366064 365215 398632 529063 403134 540584 723055 86771 413803 219767 333825 104141 810150 168617 537740 520523 247758 638155 195970 270006 449689 364595 609929 671227 134828 240919 196576 752053 402496
dimethyl sulfone 492394 536700 575910 350016 392444 543695 346973 354877 416613 477052 486316 582867 349879 227766 166734 320504 662837 421123 780437 288513 298461 429075 266926 175803 997561 475410 914055 401440 508190 704878 189699 255760 797739 1357287 1259638 410304 1302653 481723 210790 263499 168035 317023 427104 379942 548713 255551 211489 352638 770118 280331 456120 550262 153472 227771 335400 1021523 646598 394422 295467 305398 111392 66847 360615 622345 714552 831119 417092 354328 181144 744114 713521 1151678 1265723 996955 421312 322076 253641 1163090 2060419 2698876 2775249 2139802 1223577 1017242 717031 2115532 3506607 6932537 4022647 2715790 2195821 1837274 647388 2256835 7816033 6776458 6239370 5532491 3880318 2337141 1712351 2373335 3542553 4713494 3337642 3494397 2939870 2117930 1057467 828622 2738881 2412642 2784632 1661450 1998726 3110396 351930 2342919 2629889 6410654 5308740 3415098 1522714 2075673 1985369 2430212 2238692 2100951 1786037 1573927 2932903 1816748 2119240 4408193 3180369 1723340 1790836 1576854 2791380 4088890 1864008 3337598 786065 1792624 6270763 1396033 1007786 2369068 3281456 4289937 2670641 2263571 2587374 2934094 2035141 2392606 2976626 7085404 1988285 3496537 6326356 4247705 4195250 1494444 2445283 1991518 2878481 2047692 3210188 2670061 1830198 2855086 1596140 1090713 4480520 2882595 2548969 4311111 5738429 3395216 4355666 2063382 2487493 6874625 1622952 5073198 4607484 3590476 4046112 5884107 6116436 5468078 1512879 1593502 7389123 4005583 2754833 2642557 3933636 2738329 4478952 3168467 3187839 3420485 2928456 3468775 2218464
indolin-2-one 210212 60385 110610 83434 206381 117795 91801 191238 128696 123476 182691 272809 65586 116862 112392 117743 60573 436284 83303 33461 343490 60878 57076 35103 93191 98799 97431 90833 96020 190634 62678 147101 229096 92489 332030 261635 148882 121024 174257 260561 257266 223228 81127 202920 88350 148115 327014 136574 195377 85591 121801 139709 60150 116385 55068 98830 265970 166779 411188 174417 220707 360085 68511 249618 331342 224804 148928 125952 181177 204060 67473 220189 161207 105423 204396 212731 172990 78868 56635 110794 85559 69843 221968 209050 29600 265278 91628 291265 528285 447467 238458 643686 504813 615767 606944 456602 377788 476639 444004 362247 558495 675210 786097 363226 392810 261488 286842 1033031 601677 541671 513291 225097 1358284 608158 522065 159794 300367 236969 191158 210036 598996 253392 400574 285193 112391 314295 395721 363162 235404 671977 343139 167705 498460 370829 148832 340718 649337 475104 249736 504425 555684 737159 357448 445475 499635 374295 593183 321110 180000 146016 486950 561212 627897 134848 344502 248357 514327 344948 429665 158690 1056034 439566
S-allylcysteine 143604 226759 1208382 756425 751358 262619 686994 1419104 3207059 890973 453878 870225 534378 4730877 109692 2962477 881221 124279 157960 69760 198794 293905 3941714 1412647 852169 108868 405136 1436233 122910 676802 802297 1309314 137070 590933 86825 13126110 68765 658414 8279055 1093945 811555 898795 2793734 1258756 147437 304672 857014 1276959 1630722 934422 6992040 2901305 657778 205531 480141 98774 358323 109129 395375 696693 1357101 60788 121958 291649 864550 130637 224409 2232202 36780 89346 960323 278088 245863 2023912 128270 952616 543887 3754819 1322464 621814 1148128 512028 130994 968239 487168 1820215 196432 294123 108038 477969 798041 436992 553446 207772 116951 187038 47732 1101294 48454 88363 614235 2454699 3877718 137221 273809 1581086 9220105 4046044 4066641 6173732 213928 337643 8875851 787955 190685 2020811 19163773 2855882 1316411 12281834 6874595 10003080 10182531 2541340 5318571 4782267 3269358 299346 113924 1142948 114899 1569863 2139182 195968 1755500 801367 2464235 421261 55338 568028 847777 1683038 4766715 3904525 952515 2974079 999968 3349626 468976 642245 2579101 1373989 6314494 328626 790148 1477170 12250800 3908095 3179889 426630 157977 2793813 68753 497585 507939 128564 3356064 3574611 17961474 3051036 6474738 6969868 1959063 12780426 4528506 4893011 1047383 3379937 6513269 3390769
2-aminoheptanoate 1284171 1162627 981755 1632520 1534816 2472952 756747 981238 1073578 1290449 588380 835990 731952 671468 1054256 478533 1509534 1078845 1581418 756650 849191 562956 1063753 744074 1056896 1449222 623729 1253298 676114 906464 616675 983839 1229101 588228 382023 872425 366009 324162 434784 779567 1091119 706493 728370 1386274 880757 923620 1369922 1351492 1518329 661776 840423 1062815 1441286 954660 1333492 752450 942051 1546500 679910 1493891 676503 770532 986596 1238083 1015697 1021435 660479 941861 643322 795651 696377 835414 462571 438593 848080 897558 1259440 1398522 799879 1035240 1026809 738380 1094516 1141688 1664005 1709018 2796898 1710917 783127 1077957 1020550 688261 924837 1228643 1605715 827256 1119005 887470 797394 1194473 916876 720965 387598 787046 1119212 825529 762846 681110 2375058 694076 587275 714249 334776 1916365 924840 1521995 1173512 977616 1473010 1525702 3629982 1244642 1635111 1779693 2499233 3616568 217051 7507538 2187475 2043860 2520661 2454747 2597726 3761963 2655935 1161883 2279536 5614002 1996897 2960929 3020440 1160349 2102661 1637646 2779707 5615804 2989018 2571002 2592707 729248 617350 1922675 1129335 3958756 3942755 1102803 1594987 2095874 1889681 2110491 1767200 1514016 1759650 967215 1673955 2076159 1969888 1708124 3057942 2013327 2497856 822822 1885873 1879596 2055017 1608785 2125060 4063611 2760374 2168399 1877542 2369202 1225050 4262795 2330766 2826783 3350804 2247035 1543627 1047820 2303973 2777041 2477680 2776031 2393088 1141705 2852208 1156896 2805919 3548759 1535221 2677014 1898927 3154481 3851848 2100916 2418452 1300742 2431988
methionine sulfone 1132636 1016693 1217467 1016140 635339 1642041 959868 1686726 1832614 643221 1221421 688219 1048739 1329746 1150614 1046539 1162976 1184474 1712771 2075903 1151859 3625843 1590055 1671983 1741501 1391327 1315997 1383968 1434995 1787602 1379191 2015647 1210715 1179729 1680343 1960322 1082232 1263678 240178 914451 964941 264527 1331886 776371 818225 1058625 1095220 1069826 2578449 1758760 1485671 1301308 694345 1158905 1379271 1120042 1197381 790776 1058205 1488652 2285506 2084271 1612658 1773799 847491 1467894 2181478 1211159 1601637 1093330 732011 1868152 1545849 1623104 1448568 1726876 2443810 967790 1614268 1807549 1721391 2253444 955285 978808 1348922 909556 2166230 975371 1266198 1329182 1061975 3261762 1810096 1644762 2044871 857323 1398855 411156 729552 594054 1361311 1297047 2251956 1473266 2162873 1699720 1072094 620820 1565977 1424842 1664200 2004780 2157052 1233051 1259623 1669228 708701 1226403 752172 1421834 2122844 3286332 2441722 1542184 2114040 3340650 2923850 3958817 4709225 3989288 866935 1675922 5403157 2393368 2569325 1305896 2009352 2000933 1961673 3566887 3885019 4195574 2078801 3278532 1901375 1576042 4695283 2144332 2818130 2320362 1057318 6000489 1180017 5230174 3568970 2950619 2811995 4087363 3829926 2835229 4958411 1448594 3293479 3191571 2202571 2343502 2369449 2362456 4546248 3853200 2223258 7731844 2707349 3865301 2756992 684152 2595844 2990973 3288637 1657885 2331015 1301818 5518588 3892240 4123720 3421189 2434553 2490040 5077300 2594559 3240235 3583740 2800447 1847842 2385188 4879334 2250195 3123667 2649448 3136411 4802895 5879223 2904131 5025940 2942426 3109575 2023329 4143128 4936887
fructosyllysine 20385761 26971125 22426390 14825217 20850168 13601561 26961718 14569047 5480604 19760515 23356075 14346737 13809653 29403283 18301010 15648035 19535734 12956397 34584863 13259238 14603608 23264185 6820899 5898733 22900853 8262595 20086330 22828783 26489816 22462227 4328955 21911666 18345270 30981726 26367468 28950129 16723509 12647839 30867060 12249399 22868538 15733412 13273603 11800511 15866549 12206626 13945548 14914078 13379234 21229737 18845133 20228289 19293585 19782917 16761469 13436724 12541214 2757079 19936660 14956261 25978678 20034277 12114273 29510980 31280645 12233095 25459155 22127536 18693963 16992051 21532370 25129911 18433228 19575550 25354158 22130617 16773508 11416140 15301916 13079259 14286166 24629084 27795581 11937793 20271706 9912689 8062973 7834754 10508121 22415289 22454948 35689305 18439160 15264689 17090622 8309921 8100428 1823860 10728919 11908911 12297611 14849744 27297991 5867339 15019593 13460707 10430130 10396166 15559253 5934327 14240025 18187283 16824033 17004717 8669825 21798560 7621986 5183008 2869537 13874002 7490097 23936179 7125768 15256891 9754223 7742264 18237705 402070 12196094 11019030 11057478 13301451 21820554 11478522 14212448 16160395 7403956 13988435 13840417 5310002 13617015 15271733 14056299 15846930 3963361 17287360 12785184 18247540 10964376 7822396 19556587 7386234 10147628 8996330 7032609 10116750 7330693 10150711 15387734 15605173 7867755 10679944 7365484 15692634 10790876 6611433 9326667 12259875 10439398 10215663 13509423 17425367 6843691 14453646 14281323 23419305 10499982 16598294 11167348 12854292 21055831 9198733 9014180 9210015 16834051 14748480 8013463 6574577 10900733 6246263 7283342 17581651 16041655 9419149 9722502 11115396 9091906 8599492 12385377 8487736 15841168 10760978 14399279 14039967 14668634 12450723 17282442 12625723 7568551 13452884
N-methylpipecolate 2227494 2045761 1371832 6961707 1405662 5170130 3508107 5020569 8338116 1712883 2974855 1315532 2027814 3908014 7222270 2184714 2339653 1561595 1366020 3265834 2638050 972909 10593503 2511728 2818071 3599167 1011324 5597493 3123282 16559077 2573808 930870 4512236 6094320 4685284 5491050 3517317 7430244 247885 1103516 5272156 363104 1487515 806171 1187565 4356350 973766 1371385 8720674 10486172 7927395 6829622 1774479 1263764 1768167 2106857 3366855 1554368 1069648 4870337 9411157 2273514 1635734 10024024 1644722 1457076 2077874 3602494 6512669 6238113 787715 10874429 2376917 3290936 6617783 7615364 1046360 1546547 1971225 3288037 6953317 5558172 2902655 3376624 4708457 1074503 2831060 1287887 2517826 4353526 1338582 1745040 11035231 1396758 3375883 3118889 6019537 3383387 1602440 2879227 3574574 726940 9555843 7657052 9265155 9702465 2696098 4919958 1167722 2421772 2176168 1596819 5110846 5956341 11875541 1487028 5132367 2060064 801118 915906 3660504 1905899 2859422 3614859 2358767 2493590 3211884 21680973 12893043 13339985 1439033 2791170 4539149 12365503 3570005 5587186 2914127 4544899 5022412 4639203 3900330 14337122 9186501 3710294 25331932 1107278 25189796 2786782 2601302 5914291 3522028 1560938 2850463 5623786 2773471 9995356 12536790 2449259 12132844 5740955 13109716 2751731 8752535 1664406 3333141 7060546 1562531 2230793 1574819 3988810 1428153 19886907 1953328 5703293 18240455 503469 6521099 4621962 1135025 5268912 9202630 1010862 3063772 4134958 1169068 4610340 1802340 2316656 13349910 3995402 14556327 12567140 10633534 2413194 3311035 2088966 3535223 9743077 7106515 3498197 2507324 16603995 3218934 936383 12913767 1190120 1399634 7059009 4032831
3-methylglutarylcarnitine (2) 100813 283683 186896 279875 318452 327962 112193 84871 178214 129224 225699 256309 134982 224342 213883 164491 98103 189435 65346 187101 68797 110239 229826 599156 58321 191791 102327 26420 211137 291519 242873 204432 145857 298235 119587 77834 586161 52662 256387 201603 45295 90808 167154 189213 270135 316911 328675 331414 263153 144467 81925 196969 208181 131808 297304 198078 792157 296615 213236 435472 165608 1213920 52636 191363 159323 128919 252945 109455 150056 164510 109958 158281 253779 78788 174416 319096 284871 104462 193986 106175 303508 477235 193269 166063 229553 272533 223210 66647 130888 329806 58147 289951 139240 80530 622002 182131 1867713 79384 95731 307510 109186 193605 196752 120620 98597 98651 60103 483585 88558 656769 502474 295959 426052 216136 372456 32654 947287 1080981 1933448 1371312 1203738 1688398 1691888 722028 1012662 1724991 1140005 1810241 1111219 1310904 819999 1467710 1151526 1919864 870225 1177173 693058 2876671 1556476 1625532 571975 1066822 502318 1606657 945874 2234679 2623481 1204653 750448 10030946 1124911 997738 1420982 1744028 1176252 3397655 820283 5859105 691187 892292 2019157 2184396 598212 597108 3577135 922560 648823 136331 1550018 1579422 752962 612067 1017061 668438 467506 1684490 1430697 199038 1043959 514414 1665552 2235848 612914 1517834 907792 2614940 1600044 4448909 623893 873573 988430 984192 739798 555909 875407 2091983 1577351 1611158 2030309 612029 1358441 493986 1078949 948124 1062764
phenylacetylcarnitine 884176 169057 52108 206281 135241 217385 206498 601613 130129 228592 150896 119529 147102 78202 177214 222168 120902 900963 63189 460962 185719 87473 264180 137844 215316 80652 188514 754485 317270 256973 321311 260785 1329977 160397 67157 301413 108408 172422 816210 168366 286807 48055 46741 78844 694048 946647 410257 703731 323542 190719 489080 79915 300256 101613 1397767 775377 371287 264427 1302724 293138 498807 120320 195391 223392 120777 440719 2348466 6623717 3133809 2537029 5361710 2772493 3655395 104336 1197563 4407517 2055191 2241710 1157682 1518930 3116260 2520510 14159740 6402669 705572 2339977 428492 1054118 5668567 3428878 2670876 2287960 1319576 8565197 3493350 1468150 1227233 1972328 5876335 3274460 831574 862495 1842119 1810047 268494 717396 871223 573422 2269138 4868633 2444222 1621015 309791 3283837 3714692 1125352 259755 2839035 1504257 1061635 805916 1707139 302671 5172375 1791638 1417904 1808659 1747951 5803759 2899235 1595789 2444855 1720599 2020341 1742890 798274 313648 1304009 885164 1365832 1187835 3127478 1082613 1985596 4360004 988785 3242110 2690702 3026168 807444 2323798 1624080 3358874 2509708 9206859 2021531
N-acetyl sulfapyridine 97799701 ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND
C-glycosyltryptophan 525897 446232 373098 765327 447270 743155 717960 618897 677726 586995 768437 745746 642235 531563 578057 471900 796138 443419 633908 746291 471131 480376 555919 546214 539154 425870 346533 426833 451018 702570 734483 540347 482293 468064 403064 522992 467365 304851 398005 426210 480435 305291 495306 352139 438334 588451 470986 382200 570582 733910 606091 843974 552432 390545 580689 581265 458548 493825 564621 747788 511354 554142 525154 829102 535817 355675 573697 489438 498350 602928 376071 582184 423798 488754 465249 410155 603874 562821 575868 829756 455920 449539 418892 485543 496186 550329 717555 578202 672965 424432 405058 616957 743856 621532 869666 607912 783771 534868 469657 639922 440154 380096 510115 440879 434202 647693 343651 629077 494768 516232 521433 537587 518883 443082 742946 414357 638071 530361 388904 245072 1735287 1285752 1791038 1963411 2142607 1801070 1375815 325805 2496985 1497764 1933507 1234075 1735097 1566332 1716398 1739885 1800038 1460985 1658274 1831636 1893065 2096489 1357469 1356886 1907279 1802798 1473392 2395885 1641583 1274373 1293981 1609820 1442651 1948627 2225818 1530796 2153858 2234384 1211283 1488948 1371128 1230075 1493255 1626510 1288915 1781803 1512907 1109759 1342695 1066556 1617961 1127980 2278080 1183144 1543466 1353139 616876 1357752 1758823 1253834 1570490 1901863 1214121 1746613 1749549 1514745 1463308 1681872 1285472 1242757 1616325 3011678 2065308 1550453 1519946 1735064 1672675 1408537 1299426 1682999 1731721 1063719 1827680 1551255 1392567 1463601 917014 1280326 1812892 1339200
N-acetylglucosamine/N-acetylgalactosamine 630515 634402 347984 1062485 407588 576305 630297 378088 470452 910468 798835 795756 590233 531845 737049 529931 799130 571414 1728323 526246 495650 268055 437277 422021 616526 282905 397195 354546 489674 572891 592361 623120 346344 310501 358868 342786 621163 200263 566545 479943 332066 333787 565871 332252 557534 571519 364091 260182 367061 541963 440979 606129 781757 384840 430343 483979 518592 419378 724781 660992 591931 488899 455621 508363 607203 193001 451232 400121 282913 411497 467551 461799 513219 399112 331761 531260 491215 311175 411436 591794 422255 607981 659223 381273 581732 577420 645525 510488 623535 489898 609730 284514 693125 533920 760530 679455 509941 452591 323908 787525 438885 581769 269349 284612 438997 420240 355341 574588 510599 400664 339373 519558 605335 345151 524176 269308 702064 528581 132717 412215 800673 478248 495389 840392 988251 447576 635389 430424 743528 339447 586176 265536 525875 580400 437192 248255 637666 547314 616353 589300 303760 371014 600809 693504 621270 715069 556684 351496 591624 804204 445536 891950 633332 356563 781144 567271 411606 370077 365031 621707 888965 690204 612534 581721 180767 306948 494961 265420 438123 809495 731023 491579 525653 378068 434433 510398 366717 590627 483031 479422 566651 437860 410598 476095 1145199 773779 480608 497915 646149 357464 380528 452346 373762 414528 318028 592842 439964 677022 812893 364220 277269 544411 462961
adipoylcarnitine (C6-DC) 346320 287806 52612 679299 129980 71241 306808 480516 260583 722853 132734 492045 1009461 63112 95763 201244 152415 323496 145850 488162 917394 392907 3375886 1146931 858076 559513 352669 359481 837702 1530038 426241 2407734 2062401 235949 483109 744388 1474468 116759 486120 1482501 123229 234230 72188 163820 280049 314728 139950 184800 264867 70595 462536 680623 149865 799534 540465 387246 536147 423732 865534 664423 3019682 1111956 454035 614982 390136 567127 449100 264730 628790 306908 386665 245529 1083312 3065428 1199674 842282 348111 945722 75230 55354 91272 384550 88861 109162 116835 137003 83803 213515 60864 249851 135300 293896 241621 196054 111583 159222 113470 1646720 327150 3158583 1264525 821546 1086761 1855238 280827 528452 1160701 1078534 3007976 961995 683240 1279111 166341 316133 1525415 100015 267489 5086619 1683576 985052 3192255 1760823 2062252 1964268 396612 2168839 1110887 1242542 1934309 1228046 1817037 3178088 1346744 1738868 1171593 1911499 1549095 1790756 969214 552885 942011 2655975 1717376 1790064 2526539 3319910 1080898 359304 1856071 1111651 731885 1395762 1433176 1455461 701107 2449449 1721687 906059 917219 8259018 683064 737406 1302529 1252254 1167285 821539 873412 1617353 1029404 993466 1154275 2429483 2119267 220450 3869749 1589468 876652 734281 1187160 669859 2669347 2039422 1411021 1000142 1230141 1069335 1657980 2439069 2974869 717424 1176084 1167076 1913665 1102365 1649102 663063 973990 1706709 518149 1689464 1271966 2099664 1621683 484199 1284218 2781005 735670
thioproline 3072895 2787844 3274850 2438893 2482355 3208155 2229470 3809299 2022284 2330888 2829171 1489947 2683166 2486390 3217233 2329365 4685699 2685510 6301611 3362910 3012199 3353226 6416138 7514135 4694550 6118800 4093384 5802679 2663501 6032866 5363557 4961983 3606054 2329896 3688083 3373454 1602479 4159778 1725789 3263417 3190761 2002200 2053053 2594732 2934496 4098240 3160114 3759378 3694679 2568458 2094447 2707288 2875570 3886939 2802116 2896485 2453707 5626049 2321426 3100995 4970065 4847444 3478603 4022809 4051058 6229849 4458515 2694905 4060011 5265679 3851716 3700909 4461693 2604948 3401295 5717851 2899969 1590544 2875693 1928621 1973954 2338094 2590585 2241855 2037719 2437885 2388724 2929813 2219140 2657612 658405 3441892 1831574 2499081 3429845 2545135 2037921 7668202 2929185 3791626 5251477 5889232 4284694 2864703 3819553 2670502 4401327 2094019 2445171 4615036 2959375 4038884 3868458 7699740 4896761 5938309 1136498 3665668 5529627 3530913 6639606 11148753 6946898 8886209 5525179 7714052 6604839 7690108 12067205 12520326 7272464 6759793 2190045 11081447 6458198 6766180 7743504 15264088 14704783 10011109 7393078 6712444 9405222 7540134 10940059 10658798 9866293 7511131 8364626 6476178 8342068 7733967 2764742 6905610 6047429 6008750 4915483 6189345 5480655 6925036 5495174 5331261 5266115 6318908 5146994 5145858 5665254 6309439 6103698 6159916 4712317 6538465 7784551 9198014 6490004 3526973 9265251 7076212 7075897 5536644 9083978 6323350 7731771 6920579 6180784 7421195 6340740 6721828 7302304 7371614 5361114 5675137 5427937 5447218 9560525 8234545 10352561 10769535 6763145 10353164 4440021 9117766 7263594 7246555 8664426 5509342 10088784 6746037 6184051
2-methylserine 2987926 2730112 2370220 2758301 1049268 1548426 5111488 2258828 1330787 13293138 2940746 3000834 2586585 2211167 859368 1708129 2221591 1995146 15564780 2384246 15948787 17779089 13411950 3156608 2746906 6875863 3697205 1421575 2644163 14385291 5232606 1735859 1762537 4029591 2252541 2026118 2175658 2115575 1818021 2873434 823875 3039921 1861821 3192500 25733331 2059699 2237613 1964656 2198273 3526566 4579291 13165334 2802151 833654 2824572 1010592 10863414 4935276 4882180 3959183 3913523 984989 2227848 4989816 3049023 2531634 2160127 9992503 2620238 2149564 4526872 6368712 1770619 2706293 3429016 2860129 1625081 2524100 1526406 3643705 4796329 3898162 1344594 16952427 1323888 2054614 2180274 1548374 2432931 2446359 2986910 2491485 2664305 2452972 3976296 1080083 2701147 894007 4545274 1470078 6628825 4951764 1839015 2122835 2317056 1325876 3321495 2263030 5389054 3200790 3330018 3272130 2743269 2727207 4300009 882221 6897265 7058754 2579657 7970381 3640517 23542323 2121503 1412261 2685849 3948977 2417365 6745626 4529014 4576727 5973728 34247115 5463558 6011155 13510053 4419617 8372588 6390226 6082446 8870354 7649049 6754241 6549758 12404521 7072901 8459770 11905758 4313232 5950369 8685837 4132604 6746187 11417348 2731261 5489520 2918713 9422173 11647147 4270194 4693142 3063686 8655162 5600564 5425978 5723927 3020809 8367928 6075223 6478843 7960723 5668462 8247211 11151441 5541273 5213578 3393642 6768960 7632202 8089784 17723567 4820425 4988105 3441268 5415416 5138092 3291077 4006474 7441665 8320586 5355537 19959328 62899726 14611810 5114785 1904546 3898275 4406178 6411332 9003841 8870088 6362548 14638100 7703040 17143217 5761116 4173251 4897223 8753081 5192798
(S)-3-hydroxybutyrylcarnitine 310421 348892 138755 1438397 570651 496003 266022 812379 210988 569738 310551 491526 558624 95227 276936 226226 166502 155967 1330234 471980 6975396 523113 14997000 2943242 282547 3632224 520113 1818814 1055340 3645357 1129946 7381281 372833 407382 691449 783174 833990 421377 7537864 145794 75276 106290 487142 129132 2432651 843890 259576 121815 1202531 546702 234529 528831 529397 97325 388314 353698 1553724 707707 2411525 2302404 1665782 144038 418766 104032 429723 1434570 397545 484200 527375 493833 904701 2501410 108057 1570198 1552426 862319 715322 602313 234933 353835 917732 613395 82947 109538 294776 558114 118836 403597 958875 2616641 3348571 1151125 278510 3411929 1552363 2166746 1578298 855071 3302822 2764382 718943 796450 1573212 645446 295337 1056746 1343600 406573 4441709 1194085 31542784 2840802 4536532 4285002 1855988 3861737 2379103 350648 6817237 1638487 2631925 3736172 7180752 6118014 1876351 2181771 6251555 1164488 1775623 2291181 2672104 3235242 951377 1955768 9718451 2933868 3234206 3088180 2519623 1319829 1123237 2797847 1048657 2014398 5856946 5241723 6429407 1177393 1089871 6709654 4077018 5205637 1296803 3722590 1819685 2409280 2004999 887232 1035829 2620956 2570033 986338 3365063 3694061 938459 1731468 2083843 1291698 6917343 2584933 2074276 3048331 2103273 3071800 794147 764795 2352005 6927100 3309619 9182602 2908013 1236402 8505704 2904473 3428496 3459626 1486420 1432433 811811 1395746 3790614 1995808 1725265 4729056 996186 1802704 1605179 1154573
2'-O-methylcytidine 617331 709820 537407 605990 513592 999205 480896 477869 384300 778511 581584 739475 494878 727610 680877 440566 624758 178242 791373 556484 239397 260872 555117 709418 382475 280048 423390 469234 300277 332674 322958 414076 635367 330510 318740 721872 595611 550193 618086 572139 660329 778282 722037 490078 793757 814554 519772 556350 1135982 432082 314052 354851 499236 635731 294346 610060 550171 521060 675099 526576 407337 261356 248363 558641 253785 341930 702835 642603 287522 576473 793924 457986 704426 884369 723992 399166 543437 281097 277516 1139690 417221 444010 408905 635741 184272 702722 458577 633502 321452 739666 1379525 1400652 1260926 772959 284085 767304 1155726 611135 735114 1061511 693709 1047835 828782 743862 615012 1207404 854062 1127318 992006 1101452 1289092 1050198 1088245 940783 950130 694941 1280555 745115 803799 1274945 869510 1057149 850126 930999 1142109 865565 821721 173832 693581 777885 846944 890654 897208 872055 1074257 1085191 1815192 1422535 1009983 933964 600233 1243670 1201024 629066 959798 970306 893827
gamma-glutamyl-alpha-lysine 1442103 1680626 1976111 1216687 1241516 1036517 2941955 2464185 999505 896410 2497000 918647 949971 1531141 1329021 883323 1512942 1391167 996003 2253177 1062654 1539291 743090 771209 927966 1015471 1368452 2265662 929705 2456444 972281 1874504 1520683 1424602 1757385 1798230 942877 1401128 958738 643089 2308776 456687 1145243 953404 1486227 1352350 1593927 1401647 3203312 1298776 1519006 1012712 998817 1597697 1856036 1043697 1200956 1664920 2104406 1524997 1305949 1785396 1298221 2248993 2385965 1732038 2649489 1958934 1711402 1917550 1614254 1737970 1329947 1684024 1531353 2420897 1916744 1048931 1622235 1198854 1841648 1865553 1849472 1177899 1688854 1812306 1716954 817068 796965 1386549 1121597 3849744 1358615 1799342 2136158 837087 848133 670219 1124384 1059235 1371079 1197496 1830424 558486 1408276 1172473 640111 750940 1025784 1180316 1130718 2005308 1755579 2448540 1836308 2069765 504371 413207 1349119 816693 3190162 7946393 3995323 4798839 4005677 5081816 7998733 617554 5314293 7219527 5149014 6064961 7270630 6504299 7703700 7297161 3552917 6735802 11006969 6393592 9290343 11016857 8699284 9490355 4876623 10009893 9197057 8829738 6889475 6552917 3229392 3221519 4416736 4285326 1782371 4271845 3342500 5511969 3526475 7209590 3828611 5451092 2534746 4472121 5072154 3177359 4857016 3729642 5826693 4876279 7560207 4954930 2036089 7939193 4430129 7821528 2123460 5573062 5567666 4229733 4335641 3204819 2305158 3163084 5539212 6558588 5124815 4101925 3709739 3749624 3938667 4115799 5715648 4742106 5584037 3903189 5176397 6575673 6339505 4555670 6337169 3024790 7355312 6247285 5163200 5373856 3295648 4329216 5290304 6230004
ondansetron 2119090 2361577 1151792 433702 361005 7404349 6555434 4305542 8889190
"N,N,N-trimethyl-5-aminovalerate" 53653131 36883063 24851519 85313358 18170035 34329958 53167485 43701024 29876162 91665246 27626254 27556987 32870635 23219718 35766755 59416681 21510025 27961748 26360106 49479187 47867122 35518874 61025128 61931062 19428420 41264877 35641892 19663896 27268778 38271722 33550834 34525383 36011873 12170343 30107112 30731760 28848685 22851990 10231204 26477924 30326114 16411823 52921179 43194684 23669007 62642551 23821285 22753831 33384485 43499762 18761501 93460897 92584320 25127120 28603476 38029192 45710076 95464214 41529238 37321225 100148919 36744225 36332511 34760988 30115784 15080405 25663236 18347778 32368342 36106233 11031261 35184824 51650878 66212980 48248680 25281575 36603237 30554599 18382112 22194053 35692000 29054103 11293533 43914124 43601067 38429628 35151367 47370780 18761419 26762681 15431081 41873601 43828410 18303882 50609686 49354565 30536402 52258056 25800023 37701722 31395810 50601961 68532659 22562602 24522944 29232749 23259949 13982304 31750722 20270402 20276907 23409510 40135905 25707235 27308634 31668354 26337659 36048168 26228243 39074569 183748679 292820581 243122661 292776914 122917009 157002005 194691900 23474232 58648123 122547530 142244186 112402370 102486590 248946167 175713772 172256398 361530259 148062451 89667233 163814897 121120216 198834249 202145324 162706878 108637000 109528093 98655693 244103168 210556925 130217165 253568957 322346890 172616013 103411931 43822789 130898899 118365817 64868901 62540171 108447523 57239025 139655767 151615856 240150104 209170672 112437471 93360578 124541607 106474378 55754435 93870121 44442417 89527847 67091657 103337384 120087394 31856600 149092240 68561632 60094068 140729535 222814685 133029037 187751179 133142547 96460444 157596247 123223194 128596340 123290438 67667293 397698068 192999761 156138640 176828274 126369255 99470044 67411960 121791382 100876736 72092458 149542238 111949512 131729465 135696662 114370899 60070558 142636009 116415025 108328704
(N(1) + N(8))-acetylspermidine 454522 514868 338964 989298 864642 606951 1409523 678569 591330 250190 341061 1544435 512997 485963 486162 605431 728079 421125 3418540 597421 1440424 704400 1027758 1969142 2112299 888651 849376 768772 1054949 2039830 910540 912400 734032 397535 590094 914737 2132523 437561 1770121 729413 443031 218521 529571 810656 524719 709481 754399 348608 500514 755612 481179 874561 428859 636282 877404 557248 461004 728624 445625 1754397 1431609 894184 1488417 1574579 797609 629436 639486 668443 1188390 900292 751046 1016383 941565 801426 1134471 963061 1305492 2229386 532188 725757 453055 333914 282586 458091 515219 947795 669878 633018 1155862 841502 752723 474023 704975 602911 845816 568853 1055789 1170694 573521 625213 841340 1722227 768110 1070345 815968 2152803 1149823 1056694 1044217 1619532 366097 1328067 681149 738549 1502463 381125 1865532 1111489 864528 603588 2148835 723602 1944848 2047714 1923311 829089 1013509 336637 2513393 1202065 2168912 916874 1652452 2271244 1312589 2371272 1680054 1309140 1261936 1939775 2029980 2045030 1187425 2077973 2491936 2028769 1195479 3735779 1814819 3895322 1679318 1411663 2230202 1141827 2344711 1329371 1716556 1592196 1706816 1194670 1177139 1436089 4278271 1789295 1272110 1284765 1701563 1266261 1951602 2738712 1524460 2181711 5213846 1803148 1708575 1260486 716644 2352814 2674597 1684357 4095294 1738997 2172496 2576173 1724874 1669018 2220330 1920983 1543277 1580599 1550376 3916951 3975374 1494753 1688615 2215966 2352009 2029606 2168389 1697296 3761746 1672263 4343483 2201008 2180327 1358052 1055865 1135133 3073294 2135811
3-hydroxystachydrine* 102742 80201 697250 487701 1518524 486449 2979998 756594 117082 693828 355572 664125 342292 117887 842046 3098217 332282 639096 511925 211036 152537 250126 2364939 1406718 1376668 173396 3425062 1028674 272050 247142 110317 662220 901971 116774 243143 273800 73173022 726811 1252563 524146 3151296 1405308 905784 2729329 313040 4791845 1484072 3825656 1564825 428188 3711288 1225042 1988931 5910028 1185315 612906 1710468 764586 1841943 7845903 631656 503101 431212 172454 1050801 136982 263909 1148806 403214 62298 1747476 404803 2256895 2360353 2075797 2859041 357027 9095146 9261411 535286 429573 3256514 4008664 112787 4947368 118051 384008 484221 128458 16969651 437753 8545396 1119789 23074853 5734013 783593 12348340 885425 5742432 116644601 97842595 4002004 1387256 444499 17332808 3873119 51436873 1515393 2049012 7356196 246896758 848818 2450500 1039377 3631750 3529951 32691974 2558258 783684 24820174 2573687 904052 1546743 866300 26111308 375099 324937 2512698 25772792 38622045 1862466 2259249 347174 1371065 615476 1300015 3327580 6304375 14123879 3369544 2056572 31673234 1386178 268368 353379 1242248 677899 12053341 2648610 912021 501676 1572087 28721235 468864 253758 985871 127994703 887280
hydroxyasparagine** 1603823 1121559 675677 932405 638122 731191 805218 996475 932034 766600 1686912 755595 926065 944203 1190073 785703 932141 721783 731406 1224254 888911 1184899 1153258 1135968 935004 701335 770685 1132216 867119 1706399 1027245 1235369 904509 1110531 1070699 1003038 698386 834051 602285 897768 1110545 447001 864434 575623 880086 985775 1054453 1012059 1333676 1182856 1274949 895560 775433 768413 885318 1031146 907416 766557 876726 1262301 928423 1275061 1094443 1479848 1029142 793402 1323063 1086782 1204182 1350771 867165 1247179 1034398 954830 1212111 1039979 1425469 642183 1269579 1347630 840867 1021369 768341 879861 800726 825279 718832 629941 710801 938159 796807 1274053 1222194 1294472 1184839 829205 722627 629435 746677 784154 1205503 812571 1125362 930006 1128336 841962 732070 727707 876756 749041 1185970 1613322 1270388 1194511 1537557 1099148 740936 907852 346153 691321 1708268 1157675 1303207 1807206 1417705 1508714 1838079 3489629 1632162 1851203 1277774 1052120 1470593 2051899 1629253 1352262 1403303 2260043 2278681 2682967 2444846 1850605 2214121 1764104 2147962 2377408 3133464 1920943 1864313 1513377 1350154 1887564 1415411 1464226 2050987 1736985 2313335 1707059 2034590 1935675 1975965 1100344 1768787 1499010 1479942 1696865 1630173 2180337 1714235 2976094 1764708 1923859 1861252 2177629 2112932 724562 1992959 2233865 1650110 1600515 1758830 980875 1732144 1642179 1901413 2001228 1505117 1881996 1425257 1452088 2156297 1799544 1742791 1987613 1999947 1798195 2098286 1898898 2309496 2318010 1108829 2172260 1714968 1786195 2268370 1302777 1781889 2022735 2054115
3-hydroxybutyroylglycine** 353090 308882 537329 415075 635602 779570 213404 612052 488606 452563 412634 482801 807720 218740 534662 109359 293339 424761 852694 773765 964568 980130 2083065 2681232 1105651 535513 666887 831518 889898 1119782 838495 1200704 1108853 639334 1404129 843006 516638 369527 687839 1534617 244833 183730 710218 231237 1289385 1222621 783649 482650 223374 94499 1244213 493677 332168 1046370 767354 404190 655406 558454 1075458 536120 1805083 4180675 1181614 502036 1215655 644910 1026294 1714413 832158 732678 1247774 1107912 1143839 1292126 612041 1670830 680080 910708 976242 1144715 274175 605960 261334 975143 234275 452957 558848 192952 181611 417476 1967483 989047 590916 1123520 247975 1632562 887469 269480 1062559 890596 1262805 2153651 1574071 723780 1889156 368751 1356633 930004 945365 637930 1169743 788279 1604159 425120 1650719 2004634 451155 407833 2546151 484742 2162870 1328435 1368627 574678 888524 789626 2110323 949102 1447969 1668308 868622 1560205 724812 683118 1209662 425407 869640 1044198 1337139 3012926 408293 867368 1204920 875635 861313 1459721 633576 913702 342758 925006 758222 442638 3065239 1837521 2718792 199135 2094952 3349232 3139593 882305 440184 976774 800748 1048384 1131237 738757 1056656 1737973 1132047 1542030 1005221 1383495 922303 459679 1386223 482254 1818471 1090449 1124843 1743665 704012 2328640 340621 470016 1557227 2174240 1802698 3974129 2726381 1063859 1422219 2410553 1759797 1706959 434374 1435880 2457125 573915 2114750 1716839 1051709 1000152 310191 878140 1531246 660832
"N,N,N-trimethyl-alanylproline betaine (TMAP)" 19676324 17108428 14151974 14605153 16388052 10700735 10609320 23029148 25247378 10735694 26075795 18703536 24196382 21810911 24759578 11032779 17915498 17096791 9444922 26670251 17324575 18312021 16954002 17628824 38896442 15501745 17948663 25511552 27674674 37048272 19485440 18894180 14965226 22885085 26252314 16457030 49782641 15084114 19802952 15692327 16916452 5406722 13392179 15754366 18486702 15173142 21822165 19782146 37771530 20940409 16877220 11307093 10792195 11586207 20312805 25780259 20252356 11650492 28758445 23211969 10444510 24635255 24140312 37277694 22180242 24117809 31678229 23522048 14489525 29937472 24647685 25884646 18647403 19603109 30597454 26484918 74734268 23578107 31172227 28484329 17638936 15863800 28970380 19577452 10095543 16759811 14948878 9521309 16406365 20505726 15101706 15040392 19508098 23242587 15674777 9954046 19097803 15871231 18265410 16932593 22071044 12619019 24980000 16198400 42274958 75868611 23277061 19173541 17631611 20035217 34833629 37205196 26381861 27515311 31409709 21753503 14391665 13054156 9545597 12443839 38480896 49387918 33508516 83294011 55567522 50793804 48722524 4639673 79583982 57965966 52662753 78609948 29550343 49758405 63322597 42233484 55863330 68542918 79119931 48008152 73326665 73281246 54935730 97904764 75727860 84102983 69714134 122294659 73178001 60045801 25933368 25503684 39466972 42108949 41740420 44183326 71750295 45488304 49232026 65218205 44417809 45021022 25993068 29524149 36759500 49845918 58328324 58142962 46888480 44981810 65582854 59801737 95933488 74013111 54703381 75840799 15785494 61536872 69307852 54876364 28312446 29718076 36918740 43059965 30829524 44093819 43009323 43233875 55138850 67676225 43510804 41125730 36589868 36105976 38664873 58879700 128376865 49287115 47896229 48699336 80551523 30623085 98365449 56348405 56153013 60083302 25459186 42745763 71235260 67006528
3-formylindole 2689085 1208567 1489796 720579 1263289 1374660 1996372 2218147 1255813 1445085 2551666 889276 1866793 664127 3779365 994909 2365858 1892858 1271196 2701930 956747 1519354 2489752 6684095 1344607 2425212 1406204 2969563 631844 3123137 2955305 1646024 957310 1032666 2111070 1713275 722767 3866693 783161 713051 1699516 1093175 1139079 1791950 1204905 1675502 804030 2666494 4681039 1072142 3027883 1489474 1538320 1749097 1403771 2119866 2954953 3209456 2599138 1591374 2957560 3558415 1798195 1937494 1303834 3436223 2659547 1382853 1555794 2510677 1174395 2980759 2077398 1672212 2041380 3521009 1478045 335653 1969361 911172 951214 1463191 2147080 2802035 1575928 1349127 2299093 2232396 1155881 775317 1637256 2578663 1260284 1281724 1217790 989225 1398810 1145913 1925269 2345123 2362830 2436823 1184089 2152745 1907512 749742 1528837 349807 1123324 2009645 1711706 2858107 1339534 4194270 1954729 3726475 287050 1380353 2741268 1012917 4983545 4631169 3284378 4082363 2675950 4901911 6644844 1231065 5520234 5611800 3664630 5172559 2634427 7228410 7171015 4736402 3199072 5019529 6357522 5203876 5996708 6870222 9583554 9002179 7149203 9922123 3417923 9630264 7507748 6742321 3139204 2275161 3486972 2112035 1475658 2528651 2409910 5839580 2903961 4525149 4458383 3596806 1812176 2393050 1990805 3193330 2817727 3988087 4186179 3801565 4906419 4213471 8657275 5785747 5143349 5826041 1380992 3080843 3483162 1766389 3851366 5676005 4244237 3487010 3373948 3370792 4356694 3259118 5047922 4307073 2867012 4825910 4475804 5324631 3910545 4264083 4663762 3453214 3357790 4414182 4852208 2429235 5368513 5460540 5068886 4738429 1307488 3268557 6463204 4674074
gamma-glutamylcitrulline* 267556 262262 150525 236766 156059 226773 84504 221354 56158 49425 143657 199952 137512 124872 427097 270675 233503 190717 312145 203265 324807 247254 366415 206832 335398 163784 459603 338527 80042 284734 153089 336457 259862 176659 195734 227019 64631 153325 160059 216816 272806 422716 456114 489417 216356 390999 184111 300309 457382 203759 440058 382425 134964 154266 74900 178948 181101 192715 346873 452598 339539 244229 196636 594258 448989 246132 364935 194580 235867 147359 427198 297378 285559 359756 260775 375578 300258 301051 186169 119799 107325 104591 205881 194130 192819 40890 204353 217048 461379 140831 207696 179935 378420 177445 205296 244076 183392 173185 161420 376698 109578 147421 152857 175223 130410 272778 563700 286039 180027 317336 234194 174169 214210 60848 257530 1680530 1622520 1249289 2072793 1613799 1429791 1254526 153945 947892 2657783 1833864 1324162 1753817 2486886 1904123 2064007 1588168 1191264 2368839 1012185 1241537 2197306 1507734 1347260 890263 962941 2041624 1397858 1914649 1458993 3176626 2680482 2640682 1558173 978504 2713906 2745058 1746416 2968893 2017333 2240757 2398334 1452215 2649260 1952769 2710610 2650292 1027024 1602779 2873283 1845411 1268622 2061671 2408788 1613004 1270958 1667493 1384372 2020107 1740181 3147751 2418974 1563917 2794174 3492061 2103696 2870888 1602661 2873052 3741502 1945008 4116492 2442724 3879187 3093936 2823738 3504193 1480518 2748737 1567836 1962104 1561132 3164700 1584378 4216676 3682394 1024652 1868421 1191805 2313414
glutamine conjugate of C7H12O2* 134397 259514 112279 205351 95425 289984 85971 185895 2283167 218983 3821792 513113 269812 723583 226014 73210 719347 385349 660578 775605 2082110 278276 331840 682535 181699 304699 247989 1980425 40717 76911 121222 652754 290688 1431305 124749 92512 407664 112083 93249 456801 425711 1004023 1329854 1160523 116957 152505 147627 504215 412100 201595 268475 234999 131079 449784 1234026 1433437 1407908 678527 723187 359117 68183 118968 124587 518638 148755 1321053 485028 164386 1631390 684140 708064 703215 689307 2167624 496031 975712 623493 483804 575052 180861 335185 540193 155367 495689 2933857 50299 202938 8923419 468614 2907707 1512294 801336 1101226 555741 5717206 1275200 1250123 2969365 1430564 390717 1079819 364952 584601 578590 741487 626839 470696 5609335 1282295 548245 583201 472107 447608 288225 1814090 334698 299723 4778549 852883 3649898 320233 587130 7754623 1861325 270686 1107404 191257 2231709 910945 723180 936404 316630 375675 905366 2199367 391211 2054216 1124065 173630 256926 1791345 748225 7203064 2717579 758866 1926328 451477 1045152 319546 581332 1251171 10368897 3598198 16010959 1192374 501373 3438476 2128361 1686196 4276104 628552 323912 646003 297685 1179449 1271320 363434 1026623 180163 425377 582933 262020
3-amino-2-piperidone 607497 473412 634640 604416 556443 596627 1445557 987990 1212002 523325 949488 404813 512634 597338 539912 326679 985761 875976 504071 1168502 221401 328656 381142 444532 400901 403511 276116 431606 318978 502104 320814 609585 442805 262603 302150 382625 232854 253061 275356 319665 680495 272857 383469 357995 489967 470874 604895 540249 2048864 852964 312846 411804 411827 610047 631382 561351 814757 2051456 582679 574694 327660 387928 482410 517420 414917 406518 458951 674756 633792 409581 451405 406289 440243 371494 357241 516780 475099 390675 520487 449915 499806 524538 468681 872624 435230 996645 1276441 956386 1177100 575074 366222 901086 829335 724445 1072635 508812 1008886 1713281 715357 560810 320088 339083 364746 363769 510468 395302 241655 292612 330577 425841 385466 542818 340812 477233 608991 252592 581911 475027 384114 395944 1574429 1792068 1836700 1740399 1943287 2317332 2328732 428432 3584227 1910808 2815649 1289498 1625730 2689845 2218079 3862971 1591746 1736449 2134432 1888710 1738714 2021845 1464796 1842482 1970564 2337451 2048459 1853813 2056334 1661404 1128796 1022771 1626267 1521428 1324507 1334557 1859611 1235098 1773781 2832007 1451324 1619063 1125444 2314617 1536644 2153790 1435872 1291284 1392211 1137912 1422187 1471279 2063540 1401750 1573907 1653613 600418 1068093 1784582 1775802 1468352 1315863 994148 1305319 1296305 2281221 1970479 2151572 1253418 1107044 1174089 1587360 1549596 2456480 2322515 1397891 1480515 1346072 1057928 1536077 1587406 940777 1498250 2344451 1495652 1865337 914119 902697 1427901 2031892
"N,N-dimethylalanine" 4492848 4245482 5704733 8804481 5386979 15722425 7839503 3596123 14005045 1605790 7751171 17157437 15181953 3871405 16044531 6001891 1558972 19984586 3360561 21447230 13358754 10981995 5236322 7387682 2872759 5819447 3859376 8936780 14428051 11058666 12396573 7395560 5007688 26086874 6381422 4384234 4363413 4594079 10964946 4642254 1684049 3984241 33529687 10725629 15278393 2485837 2823592 16574714 19791125 6841852 1350854 1600524 4686787 6037137 15108884 32674357 6471447 6383361 10482518 5884402 9478880 5920707 5008219 9508105 3416869 5903394 5012080 21127152 9257811 13697617 6725237 22303331 10381985 28114808 10613417 4168619 4610748 5536266 28008316 5966111 11584812 8431726 40132142 5830883 4291216 11196665 17653255 2707338 6356786 5907115 90198011 17712213 5341418 51950998 67808655 36814908 20591237 37367846 4839394 4868612 2809883 6587312 27655582 6592725 31188500 13000359 3451079 3177383 2004395 18823803 11451919 3838505 6428310 6919631 4723996 4570740 8114541 1583032 13279225 48690774 88551645 17285857 29207469 64831154 17329948 47821466 3629763 38254737 43453854 26601257 80927544 51026814 15704775 207544963 58879894 92142617 34577669 46622301 30715166 21849259 61084875 178717639 18298744 47394816 70036021 22117401 125746728 34689945 21663872 19155754 25520871 39462426 16262862 66855538 37477308 47275410 28799459 7866593 24506261 30837397 35235452 24561603 15924147 14604666 63450425 48785438 120155796 12803025 27745987 17435889 39463280 43878466 35134300 26059242 52107316 6818753 40179829 46276914 53804609 39884174 11949200 121068632 17294685 17315577 27051305 30307252 318115298 15060974 23644655 13613998 12403304 17797252 27278389 13516334 131975447 65271696 18259328 95897073 25028318 48094829 44122687 37705871 23195384 25059528 22398666 16330605 14403581 84511521 35095747
ethyl beta-glucopyranoside 765692 143958 372934 114446 106910 132261 547156 45179 308268 154108 280573 75637 389656 592157 113370 126805 2105415 61399 336571 999048 207561 67438 40073 84237 68591 48285 109348 51972 421376 48424 37607 78026 157710 174935 5690429 127784 392322 151725 178605 355892 27473 125904 144332 231990 173797 105403 79652 86739 167494 77801 215654 52302 194152 70265 151075 224431 1407674 73563 113972 65711 153317 156078 74042 71980 48627 61012 330736 63416 486332 167129 257062 369444 143254 742454 57589 1350362 225011 43237 60226 2457062 592343 38481 3284775 45061 94704 1549995 1048550 208166 248672 747993 288766 617488 1165464 728471 671978 2625413 885035 521052 979463 3400517 1023852 3046848 9372813 222666 999858 212957 3939479 1519252 1633150 2073293 541005 605528 198829 1022790 271252 253946 1581146 80366 24677649 187510 690119 402498 234219 525676 407042 18275503 594615 1516944 5790802 1795805 157157 835325 366801 1954486 1847040 404456 7444049 290436 152930 301613 393023 523027 507815 2405236 6776258 433781 476409 4542063 204906 302061 3162288 1274779 717231 328162 2731185 393739 1122232 1075204 442078 3090485 147327 510366 87095 125154 1528594 2555974 945578 738665 563893 3470040 6859326 303056 841328 387235 25428187 772923
6-bromotryptophan 320864 158310 325092 273141 198105 476392 498773 44693 171904 390362 411346 196953 600239 151195 185968 132084 479355 543554 296142 547329 285847 388288 154387 316391 320940 232178 405365 388890 143900 594391 364924 457330 345602 455509 430062 311690 101102 229126 122721 159945 421156 305922 399518 250989 142562 464236 165504 440579 687079 192336 259818 550783 414696 380368 105729 581695 524239 576598 386377 219028 644855 645558 346859 544981 295607 234557 427926 345343 401308 327374 268551 338362 588832 321280 418117 369530 302373 281625 163646 235207 350032 508619 731989 519583 661610 494832 467049 213766 102726 276990 211666 143714 122092 265738 328778 47104 468696 176022 386358 397399 362894 194976 518010 96799 143014 151089 251958 241083 367726 635496 313188 542722 633397 457050 81950 285897 304971 631752 1164687 1209120 1144932 546753 1025060 654813 186441 161339 880841 138453 956225 712454 1820237 929399 945819 247455 394223 986296 1193770 932963 1164318 974645 1059746 729535 981379 1143276 1067217 1412348 773427 993409 593182 996074 276092 144307 619722 721672 521734 559479 604897 586220 803810 549034 535643 276113 439420 260632 412421 581099 796535 745444 603457 993761 756796 525853 526261 237707 664127 537998 559590 566440 1542370 336985 884994 304283 933779 897102 686537 696561 702050 395866 1197845 1663214 1007433 1054795 1201025 874470 563885 608759 873248 1015916 742732 810967 889952 780815 763966 366904 653632 812530 468911
"N6,N6-dimethyllysine" 16034990 14556693 12249682 31615021 7973725 22397704 19507142 25301901 21066234 15288862 11860352 9405411 20471607 23564421 22388306 13459059 16462836 8965907 16349682 13383459 12868967 10140414 33618382 16583521 15734164 19396050 9723005 23617339 14171733 36806368 11514571 12178608 24643490 21400049 22228264 26362309 10131890 18295074 8525855 8538951 29880152 4389629 9519524 7028526 11211027 14421487 6996577 10780003 44425124 29480299 27978834 25147807 15683963 13010894 9624442 20780262 12514333 15314567 12299052 26617150 33845611 15041720 14257748 45855157 14564727 10063720 14128698 23627089 23343106 23178067 9988046 31895874 13555288 14643368 25341502 24441977 12019509 11359092 10435355 11908088 21616493 23121620 18309405 11658064 23499704 8708009 16175065 8750105 11170057 24751371 8407088 19124261 29988758 8570195 22212727 9929738 17973443 18276583 7221742 22918959 9682834 11381559 28253081 18505902 27112718 26811982 7735330 23491963 10476138 11684520 12241832 10806525 23090464 24104986 35525702 10593317 24521394 10669759 5477491 6235423 29809772 24492926 26104761 26558353 21668702 21261862 38395112 4970972 79489716 48023060 57444379 21185347 33349932 40752851 61382478 35401528 54847478 22160518 57428272 21887960 28686004 31856253 54559717 59101380 22213401 63312348 25770854 80988800 29084449 20810705 35008317 35403033 19061417 37300310 34003311 25573057 47731827 46301165 15865220 49270215 38864410 41827284 32911163 48883449 20100532 21705511 38558581 13735122 23811180 15172541 22625457 18021448 48346134 23792727 30551277 55039697 13744527 41825592 35319266 25339337 44528004 43578750 11599203 22095796 21052175 24278153 36219813 18221350 20446610 39645132 21989712 65648437 50513616 43003705 28982628 20667267 19991227 25214367 45099838 57807159 28102652 16720357 54229707 20122403 25510576 47962376 10691584 10998762 39869611 23610038
N-acetyl-isoputreanine 2147763 2600246 2661510 2963468 3435897 2425527 4172736 1776714 1831544 2308746 2109701 4057266 1879418 2532291 2943417 2923209 2920395 2476909 5135532 2861763 3029299 2537636 5032936 5573598 7298641 2741414 2458602 2486974 1886688 3376792 2193962 4057439 3708292 1716581 2074661 4746038 2526448 1937358 2896159 2911541 1279383 1228258 1838623 2498279 2045394 2701703 3519749 1453520 4849457 2248502 2718939 3133202 2184512 2908453 2787981 2170908 2312262 4496044 1325379 4738687 5432717 2262345 6492749 5437642 2912237 2310129 2396154 4002013 5569696 3408102 4291066 3636215 2999867 2503040 2616684 1914262 2226243 4889976 2398139 3132234 2566284 1888502 910023 2076583 2841942 2057384 3645852 1885836 3072146 2679637 1132883 2247275 2403284 2449814 2352002 1839041 2056334 1882315 2075123 3551615 3189964 5315942 3389125 2646035 2153958 6046049 2262918 2883392 4303981 3599438 2584848 3119649 2022338 2063746 4412846 1900718 5293518 3664386 2002554 2351191 8723725 6030977 13500631 10978146 4531595 5665489 6521502 2071498 13366112 7390454 9036573 5663976 7728059 14357090 6442292 10575532 10748510 7084919 4075559 6683973 10523703 8773833 8383105 9371605 14639584 6055747 6302113 11550829 7203490 13774118 7825386 4900054 8621224 8889581 7681371 5523666 11390129 7813324 9771944 4056160 6598191 6833647 9815876 6794714 5025985 8401587 10501170 5915739 10186312 13446894 9446969 9046446 9903613 5516331 7833404 6430246 1466420 7621624 10959774 4256274 8018447 6770740 6632241 6513946 6794140 2459865 9872905 8116994 8062803 8416767 7098640 11606274 11530004 7886642 8906292 7492039 10067067 7165779 6702893 7601339 10578995 6206627 12498850 12495208 10224338 5304631 2295895 5286587 15684296 7496333
"N2-acetyl,N6,N6-dimethyllysine" 783797 350579 150021 697778 49184 438872 319120 1418481 564223 105783 84152 120394 506027 476830 1101183 130903 221174 107833 108162 514651 133484 795779 694376 163588 580190 412010 1055907 429973 983143 96821 363304 614034 446921 1186655 1284245 922167 423919 569546 164817 199486 318161 556869 528042 107083 1285737 679848 628197 1662424 75896 138361 468989 311894 446969 800546 480820 107012 1820888 369620 105461 524002 1419471 619999 1308859 41993 952740 355813 226330 798932 496203 202110 226165 639757 574167 490579 802823 317961 480601 232906 33589 537257 459216 105948 711877 92646 358807 1055495 267004 968134 1342705 643792 831231 1128527 263245 48338 78649 363777 702861 1407827 823067 160165 420130 48258 32932 2451699 1381885 581268 860831 1806127 493520 1815163 96283 6793795 3406350 5870089 1715072 1168084 3051715 1671854 9130344 486809 2439133 1695738 2075483 900161 4078144 6533073 1204582 6471818 2550689 11390406 1839129 4006755 2439674 4589206 441465 3717830 1366340 1490052 4147891 3321068 401220 6530889 4066656 6035555 1774267 5518727 267833 1683677 3905772 1522995 1534080 449637 1918560 2386500 282505 2365357 5821769 1047195 5819724 3690399 2447134 1830732 4015019 796285 1987872 604673 682415 3340554 2684666 632023 2893743 2258777 10216228 3251574 5054808 650433 1857797 555974 2276953 3582458 2629934 431972 268974 7189492 432704 383536 2284830 1005786 849554 3692632 491953
"N2-acetyl,N6-methyllysine" 363284 254465 140646 302631 129230 235187 1557386 325750 31760 79390 101274 233476 320774 1010278 51840 49389 55895 364040 89985 312426 526306 66903 289029 396976 1183907 171299 739579 243185 362695 202406 1060405 864152 674533 279511 442442 124006 116034 172021 409732 402628 847077 232396 232071 936734 29937 203820 237925 251929 94617 338077 304102 57553 1168457 274178 378424 1519135 276734 1025789 460115 315049 339924 444580 118115 31207 246747 241688 356549 402697 1742790 157235 226313 146272 31498 372425 175503 51575 199459 80656 201828 940995 147793 21325 445340 71322 980001 285519 652175 570096 69442 56904 37232 640037 1965484 579589 65015 68085 66591 1473048 333948 996604 165940 1082684 5569063 2016251 3106339 1577345 557174 1222369 1099680 3801681 813507 1498174 188734 820090 326343 2059152 5636150 113461 4727755 1323875 5390093 1346979 2457728 1073549 2888599 1612553 734765 1106595 1635844 1121093 212578 4700508 3661539 3846773 624575 3152579 125801 927843 4389113 845440 332031 779431 582767 145713 2259330 4214589 1212201 4727675 1887601 1559344 1009402 2083641 667818 1312225 197707 456594 2335644 1238951 512971 1812103 1280838 5221782 1499595 2716611 471565 1626757 337964 1563086 2171601 2745985 8458817 2039714 642672 574357 4265361 654903
ranitidine N-oxide* 5697806 448062 289072 1277355 9763195 1561924 4655693
3-hydroxyhexanoylcarnitine (1) 117442 123016 60532 532504 116305 202313 100606 244396 113173 297735 111939 254263 279265 188601 75563 102206 71017 410433 217786 1257920 192506 1861722 807055 184330 695294 255054 174450 521297 466590 663065 482748 1628121 173291 188147 317878 205437 198794 204604 2049375 38323 92928 140305 77932 583375 376058 156607 119335 64151 42288 426776 324612 63008 182453 239352 103235 99103 167112 471359 230661 707948 953008 587272 96352 142905 159931 258738 418881 255270 221585 289030 188901 290859 663507 480289 525146 269314 261034 223377 49777 104592 118602 143415 64116 140314 88710 42890 171833 233850 811679 78706 380880 141827 88574 1005467 354412 361601 467170 496107 762017 546197 324671 316075 420349 275739 229698 404078 122211 398918 116203 176571 1458289 40112 377483 8418764 1295179 1811818 1768470 888305 1484289 927631 335431 3024719 456759 931526 1754176 2303384 2039717 867980 714803 2200607 913797 613328 1052945 1136914 1134785 484950 956645 4802190 1702511 1645739 1839551 1350244 681365 413313 816948 756907 862361 2086646 1533492 2533762 512081 780047 2116827 1828880 441553 1787739 569027 1069344 910291 1553642 1232723 944834 589493 855662 938200 989974 997336 1611362 1703161 687903 1164764 1494278 899570 1735009 836095 1021471 1094569 931665 1294645 570686 661670 818276 3645423 1451240 4294758 974197 730197 2580697 1576612 1409019 2092154 797732 410996 1187133 394153 1658083 2043299 1198152 1621146 533872 901880 1433044 425604
"hydroxy-N6,N6,N6-trimethyllysine*" 573860 779608 212914 593966 164875 325967 603951 552058 710584 391380 1266294 399651 556254 758421 613640 527139 548840 717151 567362 689206 343601 379986 525030 605835 586616 190383 331085 431667 244597 500114 358551 605598 307401 325864 329690 467654 345239 350098 196981 271750 846319 184419 294590 334289 413948 435262 513801 423645 1134996 473439 370026 260056 393274 420536 384858 589161 557992 413948 554815 437749 579846 713130 608117 803681 418154 209603 726433 600327 507805 610239 408302 678003 299156 500867 354687 547280 434604 270089 333320 539466 280411 444980 302121 365895 267372 257973 573759 395281 391811 780162 348566 558588 565370 280731 644137 449141 385155 199046 437600 550852 477368 562353 340648 293605 586659 326969 154074 305268 364744 187019 186916 670174 400301 332281 564732 469064 376741 381546 298891 339000 1580737 1974250 1505388 1801757 1488552 947238 1602056 218568 2778054 1908903 1331779 1809188 1448059 988844 1053600 1080150 1055972 1767796 2721195 3185242 1634051 2928286 2251573 1545295 1194147 1226012 1763309 2032377 1686202 1738731 961439 1079574 762126 1488486 1188115 1201981 1678887 1005697 1113521 2200937 1361581 833678 1553884 1021346 782645 1675862 1381852 1411895 429001 1779838 1270523 1309962 648180 2040092 1133553 1674851 603913 1157362 996892 1197642 1255464 1311144 800407 1789826 891144 1777345 1660247 1156585 1762622 1076584 877810 1047739 745791 1595931 1473979 1322994 1859771 1703388 2228228 1477513 1072278 1110498 2089752 981132 1197787 1836062 789479 1077587 554998 1811147
S-carboxyethylcysteine 139129 96490 62450 180319 87780 109965 74993 199257 220582 181721 175784 102507 102815 77212 197926 67191 123626 166365 154907 34384 32883 64047 51358 50678 31253 253442 235697 164167 44222 82958 86164 253474 149481 74959 167574 200246 88650 121475 109684 115088 163398 142672 99389 58416 30670 98110 43338 46794 40280 48906 40394 41065 47879 57028 53886 43637 214790 118461 100676 77454 100249 86336 68494 76911 48971 361268 139687 71780 131472 57766 52101 69794 173536 38817 43325 80677 52422 25643 36438 113688 1230507 97192 434538 148250 196762 460676 613099 246598 361880 199318 472531 397957 536448 677552 223368 157415 764392 258712 343075 417506 806432 406993 324306 235451 433960 451516 365233 148483 218484 239070 237995 324886 153018 354771 186571 199810 163715 534966 154693 331228 175171 430123 193488 151064 187120 187603 447162 220048 308856 212476 209997 497995 188132 187344 149200 508996 287975 350525 270838 260789 714566 213279 274522 499909 364827 204904 243237 141553 734306 654834 326565 465298 124748 216477 286845 247352 573831 420461 323658 467534 254458 424024 1000737 595294 241380 392867 350619 510146
N-acetyl-2-aminoadipate 361514 166704 206250 144296 92509 149960 170247 227403 158139 136799 258738 200123 125986 194828 134928 69534 83590 103603 198256 76344 100084 88305 336597 106985 94860 111156 72431 96790 88141 95331 144270 98974 154937 164966 95862 97945 231632 109083 107661 148121 119357 170994 127155 254714 79808 125799 85536 146191 131286 112848 111038 199424 142287 127110 69384 185352 117543 202218 103955 83517 128580 102651 89733 126206 94561 213551 295336 114693 164483 168014 62790 91699 47348 197880 113236 107848 226800 100063 127305 43348 97235 134615 126006 195802 131350 111442 83333 59537 138296 72041 91004 194116 79607 136526 57563 109950 692771 650336 385515 425805 708270 460751 637072 688242 341235 514306 650605 335348 550915 441556 463405 288221 242835 553735 576970 707875 407145 668732 572255 420113 832919 619213 665195 488056 600119 593237 947730 376120 550176 431825 480582 364426 703993 368043 625517 905025 245725 588921 461287 778974 668638 943576 833201 405611 215789 968355 617116 573080 525199 750585 354851 593664 328697 537095 800837 898908 612810 587618 727343 411931 725782 446531 347032 384340 816488 1111819 1079862 531996 537272 571757 492410 540562 653921 670675 555151 744329 687666 578656 543862 593123 435281 610438 362608 796709
3-hydroxyoctanoylcarnitine (1) 464048 338847 307749 627118 384801 386368 622329 437729 308286 1000169 832568 772316 961985 113821 803046 921177 193409 735903 499352 888323 998772 717657 2063468 1223047 618092 818358 396151 474423 819231 1030582 1585226 1057874 804682 352087 664125 364966 361545 324422 518020 809566 198963 503213 846585 245945 1169824 920561 415030 696112 301294 237842 923028 1015172 375780 1202245 948084 314962 473871 619665 532308 354121 1030661 2319522 1006925 299111 421632 417957 479101 563639 793807 789903 372320 555714 1835265 663314 352339 1270104 538999 857654 831867 887835 192222 164157 265869 154671 108395 438174 905003 320253 101244 419950 265259 270093 577835 646855 533668 350296 914898 1153914 440902 834371 874152 831522 611695 515389 851611 579066 648826 345267 1602243 526803 1782980 1112779 683060 1464694 373412 256678 1425549 109481 448703 6156365 6825518 3901494 4766955 6907415 9822120 2401996 606995 9330332 5135344 7246905 6805301 5030623 4833532 2452246 4298455 10326359 8401949 2378047 5222573 2105169 1998462 994645 4339069 7130448 6252427 2344677 6373764 3399243 3984889 2733336 4389190 3727127 3452905 4323074 2644497 5466023 1806888 5674530 8872017 5186795 1535311 7075927 1722111 1521347 9056565 12427870 7542136 3710649 3603393 1602356 2847504 5940682 4376973 4051092 4288810 269409 2870032 4665562 1294989 7838557 5473667 5642319 6360445 1926026 15082373 1843756 3611276 4294967 11953359 3790674 9610360 1475178 2661555 6982690 8769745 5425453 4369490 3937212 1625434 4675791 302821 7608597 3776495 4032105 4898212 423838 756123 4769106 1384409
3-hydroxyoctanoylcarnitine (2) 172085 172764 128692 260936 176795 161875 265673 195039 137635 434207 355239 321227 461992 60824 334018 365318 88788 326829 231760 388325 424938 471423 627933 543947 263949 282067 196553 230973 489460 473717 434021 432944 271880 204456 444187 185125 149088 94785 266132 246113 82950 242967 285676 135851 411814 318051 176599 330319 146670 128072 355307 418891 121707 393280 434231 163203 208142 251224 215661 117843 438615 794113 392034 123886 184809 196055 215520 320489 306771 420424 141116 282559 640667 263481 139821 612356 229864 258887 399878 313980 109886 67021 124101 35233 33193 134745 354958 111248 58979 158471 95170 133154 271998 231474 218993 166584 369684 481501 164914 286767 374413 309197 310586 260227 350081 233042 259133 146721 500217 261688 803299 514877 280261 606549 231252 119050 418311 59781 199870 2366686 2685364 1047483 1623907 1063158 3972388 1214721 301426 3112413 1730498 2014307 2581153 1993893 1910015 1058148 1414239 3471851 5143928 1145461 1903683 631762 842432 365436 2024537 2660334 2873649 1200030 3175662 1334701 1487772 925021 1653795 1425444 1195409 1792872 968793 2168562 709457 1859393 2938149 1533673 395302 2598192 591447 591039 2876751 4193100 2986476 1251178 1342439 645266 1018160 2054096 1890528 1358461 1596906 158220 1384492 1717415 482969 2515931 2162912 1664714 2594998 928009 4689259 807991 1273243 1234072 3471554 1177455 3619549 508499 965576 2442746 2993935 1944554 1562736 1369457 674306 1414995 152702 2761490 1972210 1805805 2794033 175911 379386 2041020 648207
"N,N-dimethyl-pro-pro" 3231585 2559423 2239468 2937131 2542119 3067254 3190061 3183850 3627045 1980391 3739858 2714237 3400680 3289478 3192994 2363048 3239625 3114153 2646295 3872904 3006379 2971805 3721252 4312379 5367495 3143625 2533109 3313186 2876111 5657425 5916355 3452965 2488593 2507421 3249458 2749998 4501556 1698315 2338955 2926551 2533021 754651 1871379 2116615 2245113 3308630 2769648 2554353 4936557 2880447 2318484 3058420 2157500 1979184 3142875 3831172 2717537 3173933 3205481 3075339 3751166 3638658 3520314 5053242 3143224 2966603 4115504 3011263 3065329 3987141 2730474 3387190 3100154 3420352 3174337 5768550 6994273 2944522 3702950 3430769 2518041 2467052 2634002 2897130 1908369 2563161 3181460 2351290 2031168 2576007 2133629 2648599 2696055 3479877 3055619 2419595 2889527 3758811 2968171 7784450 2538132 2795470 3398619 2819327 4092647 5789555 2438585 2653978 2111826 3078348 3766233 4384606 3421244 3392323 4101287 2480711 2663233 2896357 2933448 1432891 9430766 8597831 8742314 9222111 7746156 10450631 8066150 14486584 9505496 9043067 10948889 6812746 12187890 11395312 9863054 8763390 10372219 8231492 10972094 11421672 12952666 8521172 14281803 20937788 13852000 9632388 16408660 12296889 11475593 6175935 5013544 9554473 16874784 8154553 8213555 9021219 7641840 8003968 9990211 6900098 7628111 6768045 8182697 8017024 8561721 8849782 9617140 8699222 8168602 9684696 7893333 16128373 11168976 7200282 9533664 2526367 8928532 10096230 7062680 6847358 6530742 6675875 6811249 6894538 8295907 7402303 8003088 7574311 9433392 6897017 12572071 9121189 9774338 6997045 8717314 13770781 9233330 5618934 7566978 11460712 6507231 12983740 9143370 9915586 7390777 5034504 7120734 11931270 9697783
oxindolylalanine 313194 237673 382791 200077 272809 386526 540368 302258 166840 403643 506059 106816 452947 215107 581055 181770 816816 640297 178605 597819 293827 477961 235088 420292 253162 193509 345482 469749 147901 598639 529094 430402 270673 274870 387736 344088 58609 308264 211633 143611 377540 144291 253047 394476 192297 385147 161365 854136 503544 236192 280526 388119 552847 414692 266305 485040 456307 270303 699570 222508 511501 657650 301945 401741 299169 393748 755743 340458 354465 372210 250701 431834 398696 292557 426172 674469 277967 346307 83836 170131 320284 392782 536234 543082 328415 502015 428566 294347 233953 841095 558548 230881 206119 361743 286299 243353 177244 416437 363574 389528 334659 326672 277067 297867 100378 245313 67340 231629 229243 239176 515551 238986 523343 189363 484182 135115 327022 219351 1567167 3055785 2487531 2035138 1130673 4668991 3902776 1287887 1067052 3469982 1152798 2136225 2428953 4822456 3282705 3181560 2042577 999871 3099061 3283471 3275866 3162320 5325807 2927856 7397773 2755843 2343908 4040744 3486242 3024080 3697741 1754548 3708872 1393198 419551 2105516 1669522 2429134 2383786 2341004 1735279 1716385 2012288 3871673 2251536 1543114 2124652 3452343 3054088 3497212 2178186 2784172 4918309 1962017 1513122 2569919 1448283 1602129 2606046 1491969 1621971 2662761 2525056 1779471 1432458 3135858 3145406 2363167 1867687 2512163 1275350 2397681 5059798 3808708 3158699 2754827 2660637 1979069 2752194 2319486 3361978 2941826 2552938 3481723 4197327 1631898 1631298 1990746 5213915 2445598
X-11787 38600724 26656755 35522987 42810146 31699325 30305685 34483298 29701612 30001745 30059789 38545189 26942351 27671237 27642409 31467033 32050130 31868240 31660977 48566054 40948320 32907359 36254425 34390360 37822539 33767575 26558921 28948661 28195549 24343283 31481937 32453692 27146447 30880765 15952876 28263920 31081180 17500730 17264177 10514091 19417155 33459522 17967889 24405083 35996361 26820869 30815459 24747038 25279593 37896827 34093284 28422676 32097757 29412437 38252052 29352200 30403058 31499609 32367459 19479265 27198162 34845190 41910592 32594050 29917209 24129216 23228476 32545254 19969057 39426319 27999691 28331205 37658599 28829873 29840693 22208481 33459474 28441102 26392991 27227144 34797505 30102446 37903983 21629513 30437807 36215193 35384770 37007304 36426451 27591594 29780097 23677709 37721816 34971285 29942004 50043464 27988705 22359899 31837605 30988627 26248639 31081772 31843320 32346470 24912324 29111696 56525683 35152384 30076894 28762311 34845288 20844061 29573453 29915058 27217119 32675258 25167562 37377257 36217477 22356477 33024389 51537615 41413127 59388859 53564711 53811593 60789487 60382877 13761590 90919347 62804905 45780079 33233784 71191205 57732889 62614555 65188055 52009817 67039471 33550606 37447796 58979475 63298371 59879412 61270613 32760475 73376131 37230771 60649952 49472392 39506411 57408651 18216383 61730991 36742238 36892560 41094373 18058563 43698684 43647595 27471990 39170258 33852752 23025515 47930926 44546503 23782036 35593047 54438930 37365428 39695726 47590844 47193326 71901488 46241015 24820586 39906320 14226426 47624152 32003700 32458267 67598501 29146168 45455171 38304661 43852205 24433527 70514685 40301252 21514897 31013152 17488388 47330282 57347396 41116094 29596634 24977670 50291212 41077417 30068451 46890699 50268278 60390672 41496723 41555733 63243302 26859266 28123537 37270592 39692075 41691486
X-11795 5257536 4145579 8101339 8532896 3612826 4037215 3364509 9816708 6313252 16251336 1552191 2337828 4205993 6373518 5317489 4912732 9887321 6036999 6360366 8724662 11921544 9364698 9214546 2475714 6263677 4149026 50727520 11114503 7255995 7319197 4887566 5392516 5720507 3500959 4883733 5707709 1313757 6940922 574620 4096033 5161226 4611343 3889495 5682478 8355885 3206666 3884678 12840413 8872548 5430736 3836577 6207682 17303203 8233130 4431567 4603381 4780942 3586996 4844765 3176075 16525106 4674262 4010460 12060303 8746740 3984159 5427433 7127816 4427070 5668423 11020289 11523622 10384392 3962649 7692186 12071406 9543910 3787687 8952744 4389481 4776118 6169996 4209780 4132904 13223220 5216855 6458343 2890465 8983387 6737922 5565604 1967285 5264480 7772555 6047026 8876896 1522597 1964628 4092017 2983204 5756341 8310667 7589231 1677985 11454247 2083239 2709422 4998708 8349937 3323345 2455751 7157386 5837923 4233395 8097253 6605467 928821 4149109 7274853 5985683 23608539 8428657 21980858 16317924 8261397 8312333 12045656 4462039 24897981 17484515 23069675 10127435 12979984 13597846 8695029 40019888 8267488 14018805 16447775 15557111 9635602 7790496 10041359 17700497 3032551 8403890 21975446 8533158 13859720 7226700 13261305 5999635 10831047 5496213 6441891 10992485 6653382 4286676 6005587 13728007 15275582 10736412 7631650 5607529 5512231 20783864 10421666 17299356 5739232 41046628 14123146 3255389 4540436 16874296 13995114 11125157 3967795 9108482 8716903 8950645 20925687 12452662 8595235 11350682 6135353 11006468 12184368 12295877 28343588 8194561 10178653 8144916 16450982 21883828 24267728 19868593 5678670 8814556 23969124 12798139 9440371 8357387 16421700 7366380 12731855 12856549 12423532 7204455 4107959 19779505
X-12096 364586 201906 158237 232069 219943 116393 259029 412184 219747 99374 252820 487487 52198 248525 285748 80564 58481 416192 143792 51846 186215 68021 66129 133834 76114 100340 357379 46840 149451 125590 178009 277208 100349 92280 899941 479517 80633 72662 208826 130920 77004 79198 291163 64052 455263 316893 53773 369911 57060 129379 79138 323248 135395 159669 96077 159916 359323 86606 331337 74393 178659 119412 72441 107280 202713 382511 133047 408375 226045 107771 1015790 108332 417672 85947 326849 243616 162894 251599 212976 503219 107149 195139 83202 91142 106818 29851 150752 298861 494561 440631 489456 338758 894905 512834 591692 456663 645022 1245119 343265 596539 434898 566588 618928 1214907 891668 748842 334279 1070420 602763 979468 832266 309019 588125 447380 533106 408124 485544 169698 173092 553889 452449 208982 645465 183767 193424 228394 119901 238735 162665 209831 92914 307462 192416 526808 156498 232462 293192 522121 57700 392449 124998 128466 176795 348315 92521 249441 374288 141855 269398 252464 257701 140743 195884 264060 259700 350211 567093 219001 155673 140771 474226 150259 267925 260655 229868 396877 141361 95089 324721
X-12100 2596874 2933459 1195259 1670190 1536026 1724740 2156074 1633245 1402667 1818253 2660668 1267597 1513766 1326567 2162000 1818990 1849249 1951081 1913524 1902349 1855695 1971484 1809894 1568438 1711847 1127962 1060755 1470823 1462449 2687623 1572560 2251074 1740261 1009518 1510154 1714608 1142122 984263 1344211 1747586 1599531 860467 1486776 2107598 1099690 2430072 1545052 1825291 2044959 2449362 1836315 2074810 1968421 1186781 1644825 1758048 2220665 1525902 1673150 4425791 2186344 3571929 2095311 3417505 1584517 2109740 2437468 1388055 2118927 2045144 1247015 2003521 1912253 2195697 1770972 2393371 1751481 1091630 1499916 2027923 1200672 1708679 1202715 2413148 1951967 1418129 1999839 1880960 1143816 1523832 1071857 5804563 1894141 2019533 5618115 2098500 1669686 1373846 1696468 2316642 1541385 1502067 1679100 1694309 1956111 1798191 1174699 1209758 1869391 1327322 1707709 1994922 1466002 1981083 1632518 1805590 1743710 1725150 902706 1191000 6182526 3907829 4567994 5383186 4524320 4517491 3740486 1337251 30288893 5843603 15256319 4516073 5507885 6985080 6372297 7391894 5978102 4215610 5271108 3658757 5726633 6542209 6431930 5398488 4772747 5839951 4547268 6226909 4716871 4394883 3981969 4842046 4933857 4018468 2970919 2787836 3599138 4251298 3507249 3957195 3640317 3410446 4807459 4291346 4059793 3553100 2549590 3087653 3523562 2802817 4614479 3495598 5096029 3596865 3206602 4431120 1080920 2702408 4562732 2402172 7461456 5149484 4877984 4259900 2732700 3437737 3044144 2811386 3735605 3010640 3282663 5935113 6227584 5486590 4805194 4577832 3376283 3631239 2844266 3989172 4643941 2796843 4877559 4021080 4845495 4182225 1899111 2778132 6537275 3889507
X-12101 1521988 2036197 1594098 11886151 3324020 6668051 2990562 4328132 2237738 4554577 884794 11114705 5249348 784792 3296501 1015233 1093096 1246321 15112084 1522725 34617345 1158911 41901257 10782118 3067642 9206581 1676853 1350365 11291337 3710768 17894013 6937745 24808611 2754111 1833801 3580739 2627013 1797871 3364416 30328536 952604 578798 1155202 5446482 2315198 4228421 13564863 3763356 1891811 1759526 646030 6426760 4102806 1781024 2641963 5811867 1369251 2143434 4164174 6338233 4692344 8737892 19090591 8802469 1048804 1135599 1768612 8433032 11343046 1105599 2011388 3148809 1459556 1494114 9385505 988106 6003115 8329565 6036211 4732646 3007520 1071647 764113 1241969 3393532 1862635 6426181 1874171 482432 899250 2175596 2900396 1613217 7405600 5475078 13670656 3129031 6270456 1524962 1193842 12197988 7199189 6150837 13988259 7500881 20244404 16411631 6560753 5701141 6514874 5567687 2635500 3755995 763455 6475807 1131215 7304915 30107780 591494 4422448 89207305 5397043 11684278 8546963 4368231 3588096 4102004 925777 26057716 3060690 9268991 4561781 20930917 23500465 5435676 7947239 12082137 3705875 4259204 4363373 8210227 7788373 3926159 4615469 43481228 9355981 8844079 8834371 7820002 6238919 2415243 3210404 3605426 2331910 15331033 13756566 8823451 2397931 8884735 9556440 7749396 3320764 27008481 3390185 11574155 2267393 7451945 5278188 3565319 2134140 6965176 11369019 7229839 3194883 13732999 12194647 1817659 5639068 9273247 7411815 23672677 3758259 13858790 11125656 5179454 2622679 2975305 4990522 5148041 21795467 8435702 19462745 11587635 3997766 8397229 10941523 7396323 20950122 3663588 2933275 8667068 5201079 7613329 8775784 9298656 5881075 2117295 6110090 9525644 3376160
X-12112 720946 597475 753590 2670243 107437 1570721 1359894 1282015 4725441 499440 1177912 693365 460935 1290108 1004714 1004978 133671 389084 343348 629712 1825343 2402737 2594136 600650 4017676 366808 1663369 920305 4955953 1581285 3476858 1669055 545937 1174694 1091132 1059808 234679 536271 1161781 490724 263199 354537 1266097 387327 2721919 3893422 1833299 3291354 517305 610497 494224 506848 868907 2975277 1684400 259846 1388652 221782 877895 1286539 2426924 333812 1484617 1103768 554880 1956928 1060477 410058 866209 226159 747986 1840904 1826227 1802134 2099799 361008 866366 1136094 772097 1186607 1975145 709004 3790954 389728 1353009 571575 2040874 6240484 347984 1695624 145283 2139220 4009317 1821136 1935090 2943974 1033301 436806 818628 675912 441681 1990277 887423 2488670 376921 1948465 745850 249077 22804463 6902706 18807379 13969805 16544413 7959593 6561569 3083871 69533309 49648027 37121649 5096808 17423367 16716046 36828038 13558602 43562411 11291399 21543100 10726327 8734057 19954118 75570486 31549064 6823975 51991653 5589781 76048162 15965835 5614996 45540074 31246953 5688695 20409711 20050806 30911654 53896287 45688635 5890133 44177510 25405570 26002194 45583278 61386878 9406186 10451325 28258066 9630582 6074926 7616345 13885784 7026768 25819636 7830431 15831153 63509260 5246149 52190969 17456406 4462616 32814287 35002493 4512521 9239672 24576372 7168888 33266689 7254362 12377681 45537906 10540255 73297723 57792518 59207586 24605769 14508370 11197097 10861856 39414025 30769861 14235827 6893867 58014659 10160745 9436460 81731045 7194366 6057659 23411874 19709818
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X-12680 2738281 2817157 3878161 5382853 941317 4401733 2373813 1649382 2869108 7233444 3126906 2514145 2124093 4459953 3131603 591617 2697127 4500390 3732201 2716337 721416 597113 345630 1136160 1073997 223128 2691378 615212 331474 411971 326489 519284 1112445 874602 1918436 626206 2544896 238125 6440780 973684 2439332 1202087 2089024 2495101 2964813 1878280 2355515 3623180 3443480 2775562 6509309 2499166 1733277 2221065 3805923 2006671 2463533 2536692 909523 1167164 716623 2462578 3142523 753163 3091391 3244539 1573555 733241 3911177 831000 912882 3088162 968231 1885994 1021149 669022 312383 3090642 1965358 2356257 2625307 5498764 1655194 4360242 1618310 1073789 3791844 1105506 3563660 3374635 2660247 2535756 1347044 1942275 191738 1549027 4182155 730342 3111904 499899 1011335 3288233 2772614 841416 1266965 198344 936895 440801 167383 1045506 997186 1346377 6003683 588623 850292 1252625 4854689 4266172 4726738 1308090 1529543 1184539 8463092 1523727 4008675 7320093 4271166 675982 1914489 2212080 3702107 6309917 2289216 3036199 998538 561894 1928853 2573300 1531016 1784828 957038 1336840 2793181 2648547 6248027 2993528 3065197 2725460 1663390 1317633 2257654 8624734 2497896 1256190 944845 864970 895670 2403955 3417058 970621 2934528 925128 551092 709103 1248535 1521426 1079899 2474231 1655600 538756 1444159 4300164 1519905 2788648 1615827 564678 2775929 4535050 1017950 3063468 4832116 14674155 6857972 420605 966804 2074912 883920 2142233 5665870 7987537 1126907 4785712 3805397 2070655 1521794 1291581 3032541
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X-25419 326138 158413 548051 285254 91066 177547 171726 510723 322825 390337 132056 303328 186767 373569 202431 148461 80006 1270733 261474 136697 234368 71954 170114 409916 361592 154746 324518 224515 208086 280077 185411 547448 207126 314445 234393 470922 406148 130280 1548115 106003 1250157 169089 506561 397188 583891 677560 1163139 315038 558589 537572 287901 252315 112837 295670 418125 495602 400715 244196 677880 458365 668503 601709 308833 402768 267839 1118367 1355252 288662 74232 634816 373311 894393 562963 471185 359610 1115552 500061 180480 485381 229989 475822 1003855 1939560 210266 410677 367506 322310 380659 287829 375077 1466386 521540 727432 390905 1421023 1315296 883844 985979 997240 806444 745706 1329298 1052022 1162259 787838 1258733 1285032 654437 389746 984852 1207307 755497 4293730 539814 349143 1250706 1174622 2620332 1306436 337058 531968 536145 530780 171654 282065 773058 536634 620690 558862 545999 661029 567064 3722256 447981 718598 676292 527806 746310 4919160 1185556 327222 642435 217776 1138808 610781 256549 647509 325990 1740003 194349 572658 572732 695978 1135804 825421 207539 740568 3419368 481028 502202 8856094 847867 707718 592860 1163451 384662 418946 278553 528041 854835 580777
X-25420 238790 212412 141348 264936 726310 254479 1075236 353005 830627 236664 114515 949817 199813 210731 484916 90890 350368 199740 249219 360326 95722 98079 161700 131657 847086 201625 727794 2674905 557088 768274 185978 193550 286054 379872 820525 410549 133222 84247 439006 141977 55270 316881 239901 859957 213059 398328 312616 1390190 1262727 253133 225486 302182 154377 534644 219405 378246 163276 434532 1651939 82816 58835 553072 767941 671146 84561 196588 680650 68309 345694 268691 870133 202776 559182 546995 412641 1607539 1133868 488382 1260341 372759 213833 132795 335716 202594 351450 187979 298450 275055 248019 248084 238627 1328909 1131864 305768 243162 569942 1733947 263742 416677 260486 88691 349617 596318 681061 2188056 82898 691444 224444 213930 674946 1196237 71603 121014 494874 111574 332132 244436 315749 842386 1635945 720751 2133205 892307 1602411 1045471 161667 3071591 1643670 4576359 652010 1179145 1290665 1762769 2777605 4286729 1932639 1149219 1589346 1498012 1392257 1318209 4670435 1304109 1273488 784231 3449798 944442 1563446 901582 1988754 648982 1404161 1340604 469164 1923074 793067 474269 2459758 1273755 1849407 761113 685500 3569047 1612248 1772469 2035019 1309893 1410823 1736227 521798 2350437 1915908 1578654 3262712 299905 754836 1259411 1307376 1473214 569444 1049440 900930 920504 734962 889603 3256351 2321910 2247579 5745691 1511702 913995 1626662 768449 517879 3387644 1092267 762376 1734775 952925 2468831 3973688 2222608 1013063 2458355 703720 636488 1060769 1920493
X-25422 253696 142724 425007 383844 921997 931344 322880 519207 327456 699310 244819 754757 1468250 504732 156165 283985 854954 1349199 321518 698587 244958 494056 803191 256666 507757 260908 525302 875506 254509 239255 838407 113699 390930 453189 215924 396894 639566 132898 377942 169447 319381 326154 247641 541583 297259 141006 172996 270392 534241 447543 142400 143921 213181 103648 184318 445921 161531 79846 1496231 336916 207754 185219 303004 1213032 159838 268670 515910 606954 396258 722877 378322 565975 744111 66055 184846 370244 357575 856096 203363 476446 786032 270710 951514 100331 1679176 97110 4498136 2039518 3886165 3426568 2471743 2343400 1515341 4564064 3271165 17245086 709291 3029567 3228745 1830822 1749742 6586811 4493767 1064944 1455361 928183 4663277 2655935 2352448 2287291 1187759 873684 2089394 1101033 2186791 1177060 1880099 1849188 4428968 1936812 1459578 1637338 2088003 988536 1732868 1628999 511004 9066807 1613956 2135590 2165466 1049199 538769 1105311 1409236 1241197 452778 1810936 2461968 1389447 975533 170031 1690892 790921 1154471 6416939 1889497 5023835 2700434 1251084 3242577 2113971 1412060 3798773 2363178 3331821 5876320 4369264 1904377 1679718 4323209 6957800 1345880 1730707 1399403 1643732 1358780 2557442 2027587 2059672 2023759 467354 1342841 2969538 1566415
X-25519 749407 691614 520989 746498 632378 680749 512697 1249341 168306 606243 1377991 326957 436053 785286 1029202 485712 532876 787067 1593064 504576 793568 1165967 837869 1501801 1343572 1832233 1739835 853276 832352 1943036 1012380 666774 847285 682217 728596 1178708 206380 1788674 559950 760977 470526 260383 766957 643384 303841 716211 495998 693474 763208 927210 529150 1233858 671338 524054 815855 674889 899493 203326 329205 507250 1938276 1031558 576004 1702885 1107806 1065014 972935 1162163 1012436 1738944 795770 508389 760877 790532 1488872 568616 448347 580731 652146 467499 548269 1296525 1025601 784787 587836 585299 412386 714470 463415 986060 6132681 998333 596149 862550 436903 724774 177479 237711 1624901 428615 1146092 2667752 1099047 446954 666984 960967 2069293 346209 821111 834943 1191049 852611 1244472 996188 874005 1037532 320411 839589 167142 1074098 328965 403776 268280 404780 225555 258244 310383 292118 317950 439296 266959 393074 466696 372701 498821 280362 210529 476151 150750 231315 316820 262639 301184 122733 295033 344978 405107 257144 118202 400502 137850 328226 143528 158938 200830 249053 220526 530933 232639 205111 214748 104345 336963 204460 137019 139289 206139 129142 286008 110724 268085 129746 162576 267704 251643 267790 213032 297221 231361 414485 295794 372843 335955 314259 289305 152949 157230 300124 172487 156024 637224 250703 361531 378220 350600 170433 147652 281601 192965 356991 288500 455413 187993 600484 476993 216050 354095 168138 238671
X-25520 609054 685794 193948 398989 682414 516918 508506 464758 349532 287398 354452 460915 477937 760829 743613 349096 302425 709059 842686 470008 2191247 181888 159951 147015 140501 148799 319851 42104 276952 284830 113607 205114 700816 226760 785301 446410 1215321 1190440 2230093 768676 603244 223156 291109 159250 842545 528373 450920 692274 198643 940907 94309 140166 107478 173541 355373 317726 638142 670350 615760 414195 728490 328013 1963756 477993 568526 475265 758497 922363 380198 923826 553959 356165 368472 680287 345632 79444 218148 155440 5640160 101957 240510 315165 1561328 992061 1380047 1391454 2630933 555036 2245082 313389 5283024 1604241 2013468 2923686 1101283 1884286 1156177 1931540 1600440 1915070 1353610 1501272 2395882 2722843 936059 9295743 1717357 2182570 8495436 680744 3068819 1188044 1708845 4830615 683300 2663263 4829271 3477593 1766192 849818 1012897 2280795 2940872 2600015 1062764 3616390 3524382 1892273 1477607 2205419 1189674 2621155 1339147 873519 5242290 1094210 1285856 384859 5026012 1927369 1443326 1440869 2422866 434425 1393987 1226809 1818951 1704788 2290850 3030782 5398417 1036420 1069468 1976176 1508483 3714458 1650078 3071160 1915919 3258382 876893 2694407 2171899 2129003 5943569 1304260 2237661 833547 2466531 1550263 988879
X-25790 316870 135557 141710 560805 481146 339270 649183 696841 1013501 359689 427675 1203372 691471 455540 756952 462488 1641365 577029 258164 1111832 193110 552569 362304 424558 1508442 438680 410712 921563 852873 1987207 2525033 790972 277670 510438 402152 732339 1930773 992749 572560 644998 329018 367909 418887 300310 817040 338857 626197 435825 1217768 782562 375978 671770 337651 185267 1118566 705367 851044 381894 476287 2242954 278963 475475 481836 1242105 731401 574295 1009566 766066 461067 584881 785551 1493709 684769 845330 560784 644681 2275250 1566554 1599997 2049535 643287 483114 555272 166065 291980 474911 357128 795407 554742 1331182 736709 1178195 645188 470261 581099 929441 772752 552368 1016896 376123 671348 486712 801976 1363158 2090995 699021 1677144 1085177 942997 606857 1124529 319977 536960 1385035 442089 1348334 693326 429366 189251 2567381 2217336 3344813 5327215 3273447 2517069 2668116 303689 6667019 3708985 8903830 2783230 2835702 2437384 3549280 4045908 6778129 12336338 3097815 5617258 4212108 3297551 3224231 3405038 6128536 4879549 2152798 4214348 2874640 2905805 1513947 2455594 1506064 3690736 5164300 1089918 7558533 2683740 7690416 5970166 2044228 2971888 3291735 1722201 1653307 3786791 9985808 2664038 4006646 5322239 2612013 1914695 9701843 4470747 3276881 3767158 1128978 2095265 2816374 3410490 2777979 1587933 2050387 3252488 1757939 2402378 2055752 2532295 3277316 3518902 2698888 5168363 2377107 3237090 2069985 3050801 6213901 3667543 3200088 3620235 5059228 2232532 11456450 5371571 2598587 1833509 1280643 1098850 3868018 8893879
X-25810 1208123 601002 1033003 1257708 919074 1107176 1369314 1042591 1602370 1045214 1385526 1469902 1295879 732143 1502091 974883 1162245 753847 1303243 7271123 1216928 680951 1389044 865132 609975 1025653 1006132 1117554 1073851 1401692 1168682 1055394 1409804 499100 989430 863475 727313 423396 431097 1275748 804416 504966 399179 1350777 1195461 1714113 2132058 614576 1907908 1079015 1131253 1316125 1303217 1061970 1134161 1284015 754558 927383 976814 1601776 1037786 1890709 1033593 1462421 833289 541545 1131446 825011 1848523 828773 546715 2132922 968312 2735337 1330235 927304 1442419 1018087 1462703 789669 1010005 1223188 1020531 925655 301295 1186323 853157 660375 711339 839602 509434 989196 1363037 1024676 2672654 1369703 896110 1560248 917673 1152630 834232 915613 1529230 1189033 645854 1391632 897476 1289607 1891440 1424783 1075579 615341 617727 695549 1442412 459922 1117082 936213 528686 1337587 3361729 2724900 1646894 2523068 1900930 1840608 2834958 2472272 1921528 3068703 1336393 1386071 2494761 4048123 4301802 3221589 1671408 3617569 2513586 1943396 2810841 3104999 3053391 2842593 2539716 1621151 5046323 2975349 4147615 1420469 1540698 2416899 1946771 1403710 1725918 2265588 2350393 2595777 2722009 2078645 2614582 3332337 2055187 1542683 2648326 4337578 1885432 2163166 1734248 1614186 5266218 3394681 3410458 2682713 2420950 1467918 3122437 1968900 2488365 3146471 1502351 3021907 2753550 2233730 2461061 1860012 2400342 1359658 2047437 2273241 4091338 2249471 2683195 1545395 2091055 2019769 2255730 3917457 1631863 2740183 2205210 4623841 3834773 4274947 3079032 1079792 1651765 2751225 2715507
X-25948 125049 59294 269072 63826 116724 57370 66751 58007 47056 116347 124011 50572 53779 58978 70198 58380 166075 76509 69224 89245 113725 103653 50783 40378 74188 218168 96748 620315 267340 186641 222178 161781 241056 236926 168358 359730 200822 278031 393964 381150 300657 230206 117127 437371 159987 413498 338206 373293 287477 69522 531057 269185 447969 182505 300979 299686 350996 139876 108674 228343 190980 200182 170905 235412 288888 425790 232038 342233 195642 209035 157366 262035 213565 424614 123346 104028 310135 277501 447637 94195 250166 144986 267864 194770 356119 193817 144294 363478 172327 312672 212534 258608 200143 206836 289015 277757 276489 347892 194907 156286 100948 211468 316049 254847 129068 132624 226572 363409 327943 237234 294483 233231 386349
X-25957 8478963 6191481 8600761 4301595 6944190 6577724 8528075 7803421 7330954 7383166 6631802 3125257 7271706 6129637 8007141 7104060 10575018 8392138 9981508 10721902 3416558 7651721 4231119 10995648 11076507 6543036 7488170 10434468 1950870 6437756 7316473 7511374 4251608 3719983 7309373 4707579 1166569 6978713 3172554 3552822 9038563 4524991 6602389 3678981 6090359 6079255 7621922 12188563 10834914 3758048 7102174 2905278 7044006 5978199 7308697 12980734 8343295 8575183 8195731 4831751 9190392 7408535 2994495 8461735 13310602 9410099 9667438 7267590 6227574 8697464 5096043 13792947 9228821 5371627 4214996 10253940 2353339 1635565 7670965 3540884 8282055 6536305 4767852 6303965 6878105 5683807 8617329 8134254 6951950 6561338 16531205 5451265 3163998 4465247 6201630 2915295 5127682 5721248 5789888 5332890 4256896 6940686 5613464 2233251 6403701 2889704 1571975 2466363 3580588 3375584 5372376 10832658 6225169 8003845 3515122 9683097 975994 2380459 13056053 5579628 ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND ND
X-26058 577497 374506 281129 408834 291714 386130 298034 337394 724435 509540 508256 241818 599685 727654 425266 544239 838294 438574 441407 348585 308718 242032 594719 309543 649570 355834 151684 242247 159409 725065 173577 770335 246276 184543 591514 206604 402537 251757 415989 352371 381601 352662 335252 549491 487890 388415 741591 342759 394614 301207 555178 375188 441504 388572 611512 1691518 245374 235309 1084561 395395 747940 668914 379066 525291 464669 243407 271892 330677 458288 501003 244943 243385 248913 181407 362967 246387 530818 920072 614373 317598 272754 176959 588480 883385 296382 465986 664328 429651 345322 218680 632088 862615 360654 422366 202838 244546 305364 527869 541060 449453 418992 568289 378046 224338 466265 237872 481797 404259 1462715 2264544 521884 936449 1688184 857073 835085 846043 1292781 1123467 2128621 1735451 1431847 1264993 980611 1611959 1811804 823288 1980326 1484291 2527442 1196363 681037 204585 1448092 1146506 2511022 923671 992356 1377461 769189 753175 1158996 274370 806979 1139375 1152561 691452 1142564 1128862 905841 845809 838410 728921 838457 525361 947664 829122 1069497 1428389 668833 714362 1236632 656756 1092063 1226040 362376 1379359 1318741 346344 967533 958941 992653 1454094 690796 895601 494396 561445 955131 1916945 2163982 1155002 789138 973304 575500 1573469 1241927 1080539 1253104 1354519 903280 1455258 427838 841415 1607275 1388366
X-26097 565902 268108 291511 196834 227881 308477 533661 293728 370132 329105 277354 145805 584930 175052 563410 218267 531206 591775 230496 558885 290451 320653 236836 405583 259356 189524 201536 336273 61988 288378 279947 351016 251208 122730 239445 134881 123946 138793 72048 119175 372440 104389 250834 299886 238328 549691 240637 1014787 867504 246388 328972 226499 323706 261939 189802 789431 531704 284572 590459 210923 247906 481767 221761 392021 149730 239501 570463 281068 210382 207751 156262 552965 304933 185573 309397 587564 146256 79838 329931 213169 252088 232186 196917 486984 340313 328681 457067 400821 315771 175274 426680 398276 206372 235386 456941 202231 257965 81747 487854 459875 173141 183284 221571 255476 514980 113678 108588 68482 157424 118798 178039 588906 248605 348966 125070 231551 40825 133710 168287 184539 435133 773603 571097 813372 340062 509657 755146 302744 1266571 609441 893071 481784 804587 1249820 789396 889316 569332 380106 830662 561617 602994 781258 811002 1126001 585345 796715 556828 644840 704768 692804 703407 514143 863772 901835 508400 528577 454643 666817 637308 709643 461873 636792 503910 766843 876898 577479 432848 522474 1001277 557518 530478 640427 1388075 847137 808795 903606 514455 471847 695700 767740 977778 812342 924115 677483 538435 795314 500243 737782 471070 557153 401582 620675 833971 852136 503994 720033 703101 415135 478555 709916 685943 663612 577345 758108 1006141 682352 418898 692783 776694 823551
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name SUPER_PATHWAY SUB_PATHWAY INCHIKEY SMILES CAS CHEMSPIDER HMDB KEGG PUBCHEM PLATFORM
S-1-pyrroline-5-carboxylate Amino Acid Glutamate Metabolism DWAKNKKXGALPNW-UHFFFAOYSA-N OC(C1CCC=N1)=O 2906-39-0 10140206 HMDB0001301 C04322 11966181 Pos Early
spermidine Amino Acid Polyamine Metabolism ATHGHQPFGPMSJY-UHFFFAOYSA-N NCCCCNCCCN 124-20-9 1071 HMDB0001257 C00315 1102 Pos Early
1-methylnicotinamide Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism LDHMAVIPBRSVRG-UHFFFAOYSA-N C[N+]1=CC(C([NH-])=O)=CC=C1 1005-24-9 8305504 HMDB0000699 C02918 457 Pos Early
kynurenate Amino Acid Tryptophan Metabolism HCZHHEIFKROPDY-UHFFFAOYSA-N OC1=C(C=CC=C2)C2=NC(C(O)=O)=C1 492-27-3 3712 HMDB0000715 C01717 3845 Pos Early
3-phosphoglycerate Carbohydrate "Glycolysis, Gluconeogenesis, and Pyruvate Metabolism" OSJPPGNTCRNQQC-UHFFFAOYSA-N OC(C(O)=O)COP(O)(O)=O 80731-10-8 10669764 HMDB0000807 C00597 724 Pos Early
"5,6-dihydrothymine" Nucleotide "Pyrimidine Metabolism, Thymine containing" NBAKTGXDIBVZOO-UHFFFAOYSA-N O=C(NCC1C)NC1=O 696-04-8 84456 HMDB0000079 C00906 93556 Pos Early
quinolinate Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism GJAWHXHKYYXBSV-UHFFFAOYSA-N OC(C(C=CC=N1)=C1C(O)=O)=O 89-00-9 1037 HMDB0000232 C03722 1066 Pos Early
"N6,N6,N6-trimethyllysine" Amino Acid Lysine Metabolism MXNRLFUSFKVQSK-UHFFFAOYSA-N C[N+](C)(CCCCC(C([O-])=O)N)C 23284-33-5 140379 HMDB0001325 C03793 440120 Pos Early
N-acetylputrescine Amino Acid Polyamine Metabolism KLZGKIDSEJWEDW-UHFFFAOYSA-N CC(NCCCCN)=O 18233-70-0 109095 HMDB0002064 C02714 122356 Pos Early
adenosine 5'-diphosphate (ADP) Nucleotide "Purine Metabolism, Adenine containing" XTWYTFMLZFPYCI-KQYNXXCUSA-N NC1=NC=NC2=C1N=CN2[C@@]3([H])[C@@](O)([H])[C@@](O)([H])[C@](COP(OP(O)(O)=O)(O)=O)([H])O3 20398-34-9 5800 HMDB0001341 C00008 6022 Pos Early
adenosine 5'-monophosphate (AMP) Nucleotide "Purine Metabolism, Adenine containing" UDMBCSSLTHHNCD-UHFFFAOYSA-N NC1=NC=NC2=C1N=CN2C3OC(C(C3O)O)COP(O)(O)=O 149022-20-8 10239183 HMDB0000045 C00020 6083 Pos Early
5-methylthioadenosine (MTA) Amino Acid Polyamine Metabolism WUUGFSXJNOTRMR-IOSLPCCCSA-N NC1=NC=NC2=C1N=CN2[C@H]3[C@H](O)[C@H](O)[C@@H](CSC)O3 2457-80-9 388321 HMDB0001173 C00170 439176 Pos Early
arginine Amino Acid Urea cycle; Arginine and Proline Metabolism ODKSFYDXXFIFQN-UHFFFAOYSA-N N=C(N)NCCCC(N)C(O)=O 1119-34-2 227 HMDB0000517 C00062 6322 Pos Early
aspartate Amino Acid Alanine and Aspartate Metabolism CKLJMWTZIZZHCS-UHFFFAOYSA-N NC(C(O)=O)CC(O)=O 56-84-8 5745 HMDB0000191 C00049 5960 Pos Early
beta-alanine Nucleotide "Pyrimidine Metabolism, Uracil containing" UCMIRNVEIXFBKS-UHFFFAOYSA-N NCCC(O)=O "107-95-9,56-41-7" 234 HMDB0000056 C00099 239 Pos Early
carnosine Amino Acid Histidine Metabolism CQOVPNPJLQNMDC-ZETCQYMHSA-N OC([C@H](CC1=CNC=N1)NC(CCN)=O)=O 305-84-0 388363 HMDB0000033 C00386 439224 Pos Early
choline phosphate Lipid Phospholipid Metabolism YHHSONZFOIEMCP-UHFFFAOYSA-N C[N+](C)(CCOP(O)([O-])=O)C 72556-74-2 119298 HMDB0001565 C00588 1014 Pos Early
cortisone Lipid Corticosteroids MFYSYFVPBJMHGN-ZPOLXVRWSA-N O[C@@]1([C@@](CO)=O)[C@](C2)(C)[C@](CC1)([H])[C@@](CCC3=CC4=O)([H])[C@]([C@@]3(C)CC4)([H])C2=O 53-06-5 361685 HMDB0002802 C00762 222786 Pos Early
creatinine Amino Acid Creatine Metabolism DDRJAANPRJIHGJ-UHFFFAOYSA-N CN(C(N1)=N)CC1=O 60-27-5 568 HMDB0000562 C00791 588 Pos Early
cysteinylglycine Amino Acid Glutathione Metabolism ZUKPVRWZDMRIEO-UHFFFAOYSA-N NC(C(NCC(O)=O)=O)CS 19246-18-5 58762 HMDB0000078 C01419 439498 Pos Early
cystathionine Amino Acid "Methionine, Cysteine, SAM and Taurine Metabolism" ILRYLPWNYFXEMH-UHFFFAOYSA-N OC(C(CCSCC(N)C(O)=O)N)=O 535-34-2 811 HMDB0000099 C02291 439258 Pos Early
gamma-glutamylglutamate Peptide Gamma-glutamyl Amino Acid OWQDWQKWSLFFFR-UHFFFAOYSA-N O=C(O)C(N)CCC(NC(C(O)=O)CCC(O)=O)=O 1116-22-9 83831 HMDB0011737 C05282 92865 Pos Early
glycine Amino Acid "Glycine, Serine and Threonine Metabolism" DHMQDGOQFOQNFH-UHFFFAOYSA-N NCC(O)=O 56-40-6 730 HMDB0000123 C00037 750 Pos Early
guanidinoacetate Amino Acid Creatine Metabolism BPMFZUMJYQTVII-UHFFFAOYSA-N NC(NCC(O)=O)=N 352-97-6 743 HMDB0000128 C00581 763 Pos Early
inosine Nucleotide "Purine Metabolism, (Hypo)Xanthine/Inosine containing" UGQMRVRMYYASKQ-KQYNXXCUSA-N O[C@H]1[C@H](N2C(N=CN=C3O)=C3N=C2)O[C@H](CO)[C@H]1O 58-63-9 21241953 HMDB0000195 C00294 6021 Pos Early
inosine 5'-monophosphate (IMP) Nucleotide "Purine Metabolism, (Hypo)Xanthine/Inosine containing" GRSZFWQUAKGDAV-UHFFFAOYSA-N OC1C(C(N2C=NC3=C2N=CNC3=O)OC1COP(O)(O)=O)O 4691-65-0 5482599 HMDB0000175 C00130 8582 Pos Early
isoleucine Amino Acid "Leucine, Isoleucine and Valine Metabolism" AGPKZVBTJJNPAG-UHFFFAOYSA-N NC(C(O)=O)C(C)CC 73-32-5 769 HMDB0000172 "C06418,C00407,C16424" 6306 Pos Early
2-aminoadipate Amino Acid Lysine Metabolism OYIFNHCXNCRBQI-UHFFFAOYSA-N OC(CCCC(N)C(O)=O)=O "1118-90-7,542-32-5" 456 HMDB0000510 C00956 92136 Pos Early
citrulline Amino Acid Urea cycle; Arginine and Proline Metabolism RHGKLRLOHDJJDR-UHFFFAOYSA-N NC(C(O)=O)CCCNC(N)=O 372-75-8 810 HMDB0000904 C00327 9750 Pos Early
leucine Amino Acid "Leucine, Isoleucine and Valine Metabolism" ROHFNLRQFUQHCH-YFKPBYRVSA-N O=C([C@H](CC(C)C)N)O 61-90-5 HMDB0000687 C00123 6106 Pos Early
lysine Amino Acid Lysine Metabolism KDXKERNSBIXSRK-UHFFFAOYSA-N NC(C(O)=O)CCCCN 56-87-1 5747 HMDB0003405 "C00739,C00047" 5962 Pos Early
methionine Amino Acid "Methionine, Cysteine, SAM and Taurine Metabolism" FFEARJCKVFRZRR-UHFFFAOYSA-N CSCCC(N)C(O)=O 63-68-3 5907 HMDB0000696 C00073 6137 Pos Early
nicotinamide Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism DFPAKSUCGFBDDF-UHFFFAOYSA-N NC(C1=CN=CC=C1)=O 98-92-0 911 HMDB0001406 C00153 936 Pos Early
ornithine Amino Acid Urea cycle; Arginine and Proline Metabolism AHLPHDHHMVZTML-BYPYZUCNSA-N O=C(O)[C@@H](N)CCCN 3184-13-2 6026 HMDB0000214 C00077 6262 Pos Early
phenylalanine Amino Acid Phenylalanine Metabolism COLNVLDHVKWLRT-UHFFFAOYSA-N NC(C(O)=O)CC1=CC=CC=C1 63-91-2 5910 HMDB0000159 C00079 6140 Pos Early
phosphate Energy Oxidative Phosphorylation NBIIXXVUZAFLBC-UHFFFAOYSA-N O=P(O)(O)O 7664-38-2 1032 HMDB0001429 C00009 1061 Pos Early
proline Amino Acid Urea cycle; Arginine and Proline Metabolism ONIBWKKTOPOVIA-UHFFFAOYSA-N OC(C1CCCN1)=O 147-85-3 128566 "HMDB0000162,HMDB0003411" "C00148,C000763" "8,988,145,742,614" Pos Early
pyridoxal Cofactors and Vitamins Vitamin B6 Metabolism RADKZDMFGJYCBB-UHFFFAOYSA-N OC1=C(C)N=CC(CO)=C1C=O 65-22-5 1021 HMDB0001545 C00250 1050 Pos Early
serine Amino Acid "Glycine, Serine and Threonine Metabolism" MTCFGRXMJLQNBG-REOHCLBHSA-N OC([C@@H](N)CO)=O 56-45-1 5736 HMDB0000187 C00065 5951 Pos Early
serotonin Amino Acid Tryptophan Metabolism QZAYGJVTTNCVMB-UHFFFAOYSA-N NCCC1=CNC(C=C2)=C1C=C2O 153-98-0 5013 HMDB0000259 C00780 5202 Pos Early
taurine Amino Acid "Methionine, Cysteine, SAM and Taurine Metabolism" XOAAWQZATWQOTB-UHFFFAOYSA-N NCCS(=O)(O)=O 107-35-7 1091 HMDB0000251 C00245 1123 Pos Early
urea Amino Acid Urea cycle; Arginine and Proline Metabolism XSQUKJJJFZCRTK-UHFFFAOYSA-N O=C(N)N 57-13-6 1143 HMDB0000294 C00086 1176 Pos Early
trans-urocanate Amino Acid Histidine Metabolism LOIYMIARKYCTBW-OWOJBTEDSA-N O=C(O)/C=C/C1=CNC=N1 104-98-3 643824 HMDB0000301 C00785 736715 Pos Early
glutamate Amino Acid Glutamate Metabolism WHUUTDBJXJRKMK-VKHMYHEASA-N O=C(O)[C@@H](N)CCC(O)=O 56-86-0 591 HMDB0000148 "C00025,C00217" 33032 Pos Early
glutamine Amino Acid Glutamate Metabolism ZDXPYRJPNDTMRX-VKHMYHEASA-N OC([C@@H](N)CCC(N)=O)=O 56-85-9 5746 HMDB0000641 C00064 5961 Pos Early
threonine Amino Acid "Glycine, Serine and Threonine Metabolism" AYFVYJQAPQTCCC-GBXIJSLDSA-N N[C@H](C(O)=O)[C@H](O)C 72-19-5 6051 HMDB0000167 C00188 6288 Pos Early
tryptophan Amino Acid Tryptophan Metabolism QIVBCDIJIAJPQS-VIFPVBQESA-N O=C(O)[C@@H](N)CC1=CNC2=C1C=CC=C2 73-22-3 6066 HMDB0000929 C00078 6305 Pos Early
valine Amino Acid "Leucine, Isoleucine and Valine Metabolism" KZSNJWFQEVHDMF-BYPYZUCNSA-N N[C@H](C(O)=O)C(C)C 72-18-4 6050 HMDB0000883 C00183 6287 Pos Early
betaine Amino Acid "Glycine, Serine and Threonine Metabolism" KWIUHFFTVRNATP-UHFFFAOYSA-N O=C(C[N+](C)(C)C)[O-] 107-43-7 "19,951,173,242" HMDB0000043 C00719 247 Pos Early
cysteine Amino Acid "Methionine, Cysteine, SAM and Taurine Metabolism" XUJNEKJLAYXESH-REOHCLBHSA-N SC[C@H](N)C(O)=O "56-89-3,52-90-4" 5653 HMDB0000574 C00097 5862 Pos Early
dimethylglycine Amino Acid "Glycine, Serine and Threonine Metabolism" FFDGPVCHZBVARC-UHFFFAOYSA-N CN(C)CC(O)=O 1118-68-9 653 HMDB0000092 C03626 673 Pos Early
alanine Amino Acid Alanine and Aspartate Metabolism QNAYBMKLOCPYGJ-REOHCLBHSA-N O=C(O)[C@@H](N)C 56-41-7 5735 HMDB0000161 C00041 5950 Pos Early
tyrosine Amino Acid Tyrosine Metabolism OUYCCCASQSFEME-QMMMGPOBSA-N N[C@@H](CC1=CC=C(O)C=C1)C(O)=O 60-18-4 5833 HMDB0000158 C00082 6057 Pos Early
cytidine Nucleotide "Pyrimidine Metabolism, Cytidine containing" UHDGCWIWMRVCDJ-XVFCMESISA-N OC[C@@H]1[C@H]([C@H]([C@H](N2C(N=C(C=C2)N)=O)O1)O)O 65-46-3 5940 HMDB0000089 C00475 6175 Pos Early
cotinine Xenobiotics Tobacco Metabolite UIKROCXWUNQSPJ-VIFPVBQESA-N O=C1CC[C@@H]([C@]2=CN=CC=C2)N1C 486-56-6 746405 HMDB0001046 408 Pos Early
caffeine Xenobiotics Xanthine Metabolism RYYVLZVUVIJVGH-UHFFFAOYSA-N O=C(N(C)C1=C2N(C)C=N1)N(C)C2=O 58-08-2 2424 HMDB0001847 C07481 2519 Pos Early
adenine Nucleotide "Purine Metabolism, Adenine containing" GFFGJBXGBJISGV-UHFFFAOYSA-N NC1=NC=NC2=C1N=CN2 73-24-5 185 HMDB0000034 C00147 190 Pos Early
asparagine Amino Acid Alanine and Aspartate Metabolism DCXYFEDJOCDNAF-REOHCLBHSA-N NC(C[C@H](N)C(O)=O)=O 70-47-3 6031 HMDB0000168 C00152 6267 Pos Early
trans-4-hydroxyproline Amino Acid Urea cycle; Arginine and Proline Metabolism PMMYEEVYMWASQN-DMTCNVIQSA-N O[C@@H]1C[C@@H](C(O)=O)NC1 51-35-4 5605 HMDB0000725 C01157 5810 Pos Early
picolinate Amino Acid Tryptophan Metabolism SIOXPEMLGUPBBT-UHFFFAOYSA-N O=C(O)C1=NC=CC=C1 98-98-6 993 HMDB0002243 C10164 1018 Pos Early
sarcosine Amino Acid "Glycine, Serine and Threonine Metabolism" FSYKKLYZXJSNPZ-UHFFFAOYSA-N CNCC(O)=O 107-97-1 1057 HMDB0000271 C00213 1088 Pos Early
pipecolate Amino Acid Lysine Metabolism HXEACLLIILLPRG-UHFFFAOYSA-N OC(C1NCCCC1)=O 4043-87-2 HMDB0000070 Pos Early
phosphoethanolamine Lipid Phospholipid Metabolism SUHOOTKUPISOBE-UHFFFAOYSA-N NCCOP(O)(O)=O 1071-23-4 990 HMDB0000224 C00346 1015 Pos Early
3-ureidopropionate Nucleotide "Pyrimidine Metabolism, Uracil containing" JSJWCHRYRHKBBW-UHFFFAOYSA-N OC(CCNC(N)=O)=O 462-88-4 109 HMDB0000026 C02642 111 Pos Early
N-acetylleucine Amino Acid "Leucine, Isoleucine and Valine Metabolism" WXNXCEHXYPACJF-ZETCQYMHSA-N O=C(O)[C@H](CC(C)C)NC(C)=O 1188-21-2 64075 HMDB0011756 C02710 70912 Pos Early
gamma-glutamyltyrosine Peptide Gamma-glutamyl Amino Acid VVLXCWVSSLFQDS-QWRGUYRKSA-N OC(C=C1)=CC=C1C[C@@H](C(O)=O)NC(CC[C@@H](C(O)=O)N)=O 7432-23-7 85142 HMDB0011741 94340 Pos Early
4-acetamidobutanoate Amino Acid Polyamine Metabolism UZTFMUBKZQVKLK-UHFFFAOYSA-N CC(NCCCC(O)=O)=O 3025-96-5 17180 HMDB0003681 C02946 18189 Pos Early
3-aminoisobutyrate Nucleotide "Pyrimidine Metabolism, Thymine containing" QCHPKSFMDHPSNR-UHFFFAOYSA-N O=C(O)C(C)CN "214139-20-5,10569-72-9" 58481 HMDB0002166 C05145 64956 Pos Early
2-aminobutyrate Amino Acid Glutathione Metabolism QWCKQJZIFLGMSD-GSVOUGTGSA-N N[C@H](CC)C(O)=O 1492-24-6 388757 HMDB0000452 C02356 80283 Pos Early
gamma-glutamylglutamine Peptide Gamma-glutamyl Amino Acid JBFYFLXEJFQWMU-WDSKDSINSA-N O=C(N)CC[C@@H](C(O)=O)NC(CC[C@@H](C(O)=O)N)=O 10148-81-9 133013 HMDB0011738 C05283 150914 Pos Early
N-acetylneuraminate Carbohydrate Aminosugar Metabolism SQVRNKJHWKZAKO-UHFFFAOYSA-N OC1(C(O)=O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1 131-48-6 10292217 HMDB0000230 C00270 439197 Pos Early
N-acetylglucosaminylasparagine Carbohydrate Aminosugar Metabolism YTTRPBWEMMPYSW-VFFCQLMOSA-N O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](NC(CC(N)C(O)=O)=O)[C@@H]1NC(C)=O 2776-93-4 21403014 HMDB0000489 C04540 123826 Pos Early
creatine Amino Acid Creatine Metabolism CVSVTCORWBXHQV-UHFFFAOYSA-N CN(C(N)=N)CC(O)=O 57-00-1 566 HMDB0000064 C00300 586 Pos Early
"cys-gly, oxidized" Amino Acid Glutathione Metabolism KDJVKDYFFTWHBO-UHFFFAOYSA-N O=C(NCC(O)=O)C(N)CSSCC(N)C(NCC(O)=O)=O 7729-20-6 295316 333293 Pos Early
gamma-glutamylhistidine Peptide Gamma-glutamyl Amino Acid PXVCMZCJAUJLJP-YUMQZZPRSA-N O=C(O)[C@@H](N)CCC(N[C@@H](CC1=CNC=N1)C(O)=O)=O 37460-15-4 5380197 HMDB0029151 7017195 Pos Early
N1-methyladenosine Nucleotide "Purine Metabolism, Adenine containing" GFYLSDSUCHVORB-IOSLPCCCSA-N N=C1C2=C(N([C@@]3([H])[C@@](O)([H])[C@@](O)([H])[C@](CO)([H])O3)C=N2)N=CN1C 15763-06-1 4573813 HMDB0003331 C02494 27476 Pos Early
choline Lipid Phospholipid Metabolism CRBHXDCYXIISFC-UHFFFAOYSA-N [O-]CC[N+](C)(C)C 67-48-1 149278 HMDB0000097 C00114 305 Pos Early
anthranilate Amino Acid Tryptophan Metabolism RWZYAGGXGHYGMB-UHFFFAOYSA-N OC(C1=CC=CC=C1N)=O 118-92-3 222 HMDB0001123 C00108 227 Pos Early
gamma-glutamylleucine Peptide Gamma-glutamyl Amino Acid MYFMARDICOWMQP-YUMQZZPRSA-N CC(C)C[C@@H](C(O)=O)NC(CC[C@@H](C(O)=O)N)=O 2566-39-4 133115 HMDB0011171 151023 Pos Early
3-methoxytyrosine Amino Acid Tyrosine Metabolism PFDUUKDQEHURQC-ZETCQYMHSA-N COC1=C(O)C=CC(C[C@@H](C(O)=O)N)=C1 300-48-1 8948 HMDB0001434 9307 Pos Early
4-acetamidophenol Xenobiotics "Drug - Analgesics, Anesthetics" RZVAJINKPMORJF-UHFFFAOYSA-N OC1=CC=C(NC(C)=O)C=C1 103-90-2 1906 HMDB0001859 C06804 1983 Pos Early
carnitine Lipid Carnitine Metabolism PHIQHXFUZVPYII-ZCFIWIBFSA-N [O-]C(C[C@@H](O)C[N+](C)(C)C)=O 461-05-2 10455 HMDB0000062 "C00487,C00308" 288 Pos Early
xanthurenate Amino Acid Tryptophan Metabolism FBZONXHGGPHHIY-UHFFFAOYSA-N OC1=C2C(C(O)=CC(C(O)=O)=N2)=CC=C1 59-007 5497 HMDB0000881 C02470 5699 Pos Early
methionine sulfoxide Amino Acid "Methionine, Cysteine, SAM and Taurine Metabolism" QEFRNWWLZKMPFJ-YGVKFDHGSA-N O=C(O)[C@@H](N)CCS(C)=O 3226-65-1 139840 HMDB0002005 C02989 158980 Pos Early
3-methylhistidine Amino Acid Histidine Metabolism JDHILDINMRGULE-LURJTMIESA-N N[C@H](C(O)=O)CC1=CN=CN1C 368-16-1 58494 HMDB0000479 C01152 64969 Pos Early
5-hydroxylysine Amino Acid Lysine Metabolism YSMODUONRAFBET-AKGZTFGVSA-N N[C@@H](CCC(O)CN)C(O)=O 13204-98-3 1002 HMDB0000450 C16741 3032849 Pos Early
4-guanidinobutanoate Amino Acid Guanidino and Acetamido Metabolism TUHVEAJXIMEOSA-UHFFFAOYSA-N N=C(N)NCCCC(O)=O "463-003,463-00-3" 486 HMDB0003464 C01035 500 Pos Early
glycerol 3-phosphate Lipid Glycerolipid Metabolism AWUCVROLDVIAJX-UHFFFAOYSA-N O=P(O)(OCC(CO)O)O 29849-82-9 734 HMDB0000126 C0093 754 Pos Early
imidazole lactate Amino Acid Histidine Metabolism ACZFBYCNAVEFLC-UHFFFAOYSA-N OC(C(O)=O)CC1=CN=CN1 14403-45-3 389128 HMDB0002320 C05568 793 Pos Early
kynurenine Amino Acid Tryptophan Metabolism YGPSJZOEDVAXAB-QMMMGPOBSA-N N[C@H](C(O)=O)CC(C1=CC=CC=C1N)=O 2922-83-0 141580 HMDB0000684 C00328 161166 Pos Early
glycerophosphorylcholine (GPC) Lipid Phospholipid Metabolism SUHOQUVVVLNYQR-MRVPVSSYSA-N O=P(OCC[N+](C)(C)C)([O-])OC[C@H](O)CO 28319-77-9 571409 HMDB0000086 C00670 71920 Pos Early
theophylline Xenobiotics Xanthine Metabolism ZFXYFBGIUFBOJW-UHFFFAOYSA-N O=C(N1C)C(N=CN2)=C2N(C)C1=O 58-55-9 2068 HMDB0001889 C07130 2153 Pos Early
theobromine Xenobiotics Xanthine Metabolism YAPQBXQYLJRXSA-UHFFFAOYSA-N CN1C=NC(N(C(N2)=O)C)=C1C2=O 83-67-0 5236 HMDB0002825 C07480 5429 Pos Early
gamma-glutamylphenylalanine Peptide Gamma-glutamyl Amino Acid XHHOHZPNYFQJKL-QWRGUYRKSA-N O=C(O)[C@H](CC1=CC=CC=C1)NC(CC[C@@H](C(O)=O)N)=O 7432-24-8 99868 HMDB0000594 111299 Pos Early
hexanoylcarnitine (C6) Lipid "Fatty Acid Metabolism (Acyl Carnitine, Medium Chain)" VVPRQWTYSNDTEA-UHFFFAOYSA-N O=C(CCCCC)OC(CC([O-])=O)C[N+](C)(C)C 6920-35-0 4932273 HMDB0000756 6426853 Pos Early
acetylcarnitine (C2) Lipid "Fatty Acid Metabolism (Acyl Carnitine, Short Chain)" RDHQFKQIGNGIED-MRVPVSSYSA-N C[N+](C)(C)C[C@H](OC(C)=O)CC([O-])=O 5080-50-2 5406074 HMDB0000201 C02571 7045767 Pos Early
cysteine s-sulfate Amino Acid "Methionine, Cysteine, SAM and Taurine Metabolism" NOKPBJYHPHHWAN-REOHCLBHSA-N N[C@H](C(O)=O)CSS(O)(=O)=O 1637-71-4 102939 HMDB0000731 C05824 115015 Pos Early
iminodiacetate (IDA) Xenobiotics Chemical NBZBKCUXIYYUSX-UHFFFAOYSA-N O=C(O)CNCC(O)=O 142-73-4 8557 HMDB0011753 C19911 8897 Pos Early
homoarginine Amino Acid Urea cycle; Arginine and Proline Metabolism QUOGESRFPZDMMT-YFKPBYRVSA-N N[C@H](C(O)=O)CCCCNC(N)=N 156-86-5 8732 HMDB0000670 C01924 9085 Pos Early
homocitrulline Amino Acid Urea cycle; Arginine and Proline Metabolism XIGSAGMEBXLVJJ-YFKPBYRVSA-N N[C@H](C(O)=O)CCCCNC(N)=O 1190-49-4 58582 HMDB0000679 C02427 65072 Pos Early
N-acetylglycine Amino Acid "Glycine, Serine and Threonine Metabolism" OKJIRPAQVSHGFK-UHFFFAOYSA-N O=C(O)C(NC(C)=O)[H] 543-24-8 10507 HMDB0000532 10972 Pos Early
1-methylhistidine Amino Acid Histidine Metabolism BRMWTNUJHUMWMS-LURJTMIESA-N N[C@H](C(O)=O)CC1=CN(C)C=N1 332-80-9 83153 HMDB0000001 C01152 92105 Pos Early
butyrylcarnitine (C4) Lipid Fatty Acid Metabolism (also BCAA Metabolism) QWYFHHGCZUCMBN-SECBINFHSA-N CCCC(O[C@H](CC([O-])=O)C[N+](C)(C)C)=O 25576-40-3 184820 HMDB0002013 C02862 439829 Pos Early
isobutyrylcarnitine (C4) Amino Acid "Leucine, Isoleucine and Valine Metabolism" LRCNOZRCYBNMEP-VIFPVBQESA-N CC(C)C(O[C@@H](CC([O-])=O)C[N+](C)(C)C)=O 25518-49-4 HMDB0000736 168379 Pos Early
2-pyrrolidinone Amino Acid Glutamate Metabolism HNJBEVLQSNELDL-UHFFFAOYSA-N O=C1CCCN1 616-45-5 11530 HMDB0002039 12025 Pos Early
trigonelline (N'-methylnicotinate) Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism WWNNZCOKKKDOPX-UHFFFAOYSA-N C[N+]1=CC(C([O-])=O)=CC=C1 535-83-1 5369 HMDB0000875 C01004 5570 Pos Early
"glutamate, gamma-methyl ester" Amino Acid Glutamate Metabolism ZGEYCCHDTIDZAE-UHFFFAOYSA-N O=C(CCC(C(O)=O)N)OC "1499-55-4,1499-55-4" 66546 HMDB0061715 68662 Pos Early
gamma-glutamylvaline Peptide Gamma-glutamyl Amino Acid AQAKHZVPOOGUCK-XPUUQOCRSA-N O=C(N[C@H]([C@@](O)=O)C(C)C)CC[C@@H]([C@](O)=O)N 2746-34-1 HMDB0011172 7015683 Pos Early
propionylcarnitine (C3) Lipid Fatty Acid Metabolism (also BCAA Metabolism) UFAHZIUFPNSHSL-UHFFFAOYSA-N [O-]C(CC(OC(CC)=O)C[N+](C)(C)C)=O 17298-37-2 96904 HMDB0000824 C03017 107738 Pos Early
pro-hydroxy-pro Amino Acid Urea cycle; Arginine and Proline Metabolism ONPXCLZMBSJLSP-ALKRTJFJSA-N OC([C@H]1N(C([C@H]2NCCC2)=O)CC(O)C1)=O 18684-24-7 9847785 HMDB0006695 11902893 Pos Early
4-imidazoleacetate Amino Acid Histidine Metabolism PRJKNHOMHKJCEJ-UHFFFAOYSA-N O=C(O)CC1=CNC=N1 645-65-8 86856 HMDB0002024 C02835 96215 Pos Early
1-methyl-4-imidazoleacetate Amino Acid Histidine Metabolism ZHCKPJGJQOPTLB-UHFFFAOYSA-N O=C(O)CC1=CN(C)C=N1 2625-49-2 68319 HMDB0002820 C05828 75810 Pos Early
N-acetyltryptophan Amino Acid Tryptophan Metabolism DZTHIGRZJZPRDV-LBPRGKRZSA-N O=C(O)[C@@H](NC(C)=O)CC1=CNC2=C1C=CC=C2 1218-34-4 610602 HMDB0013713 C03137 "439,917,700,653" Pos Early
N-acetylphenylalanine Amino Acid Phenylalanine Metabolism CBQJSKKFNMDLON-JTQLQIEISA-N O=C(O)[C@@H](NC(C)=O)CC1=CC=CC=C1 2018-61-3 67404 HMDB0000512 C03519 74839 Pos Early
N-acetylasparagine Amino Acid Alanine and Aspartate Metabolism HXFOXFJUNFFYMO-BYPYZUCNSA-N OC([C@@H](NC(C)=O)CC(N)=O)=O 4033-40-3 90090 HMDB0006028 99715 Pos Early
N-acetylarginine Amino Acid Urea cycle; Arginine and Proline Metabolism SNEIUMQYRCDYCH-LURJTMIESA-N O=C(O)[C@@H](NC(C)=O)CCCNC(N)=N 155-84-0 60752 HMDB0004620 C02562 67427 Pos Early
N-acetylisoleucine Amino Acid "Leucine, Isoleucine and Valine Metabolism" JDTWZSUNGHMMJM-MSZQBOFLSA-N CC(N[C@H](C(O)=O)C(C)CC)=O 3077-46-1 2081100 HMDB0061684 306109 Pos Early
N-acetylhistidine Amino Acid Histidine Metabolism KBOJOGQFRVVWBH-ZETCQYMHSA-N OC([C@@H](NC(C)=O)CC1=CNC=N1)=O 39145-52-3 68142 HMDB0032055 C02997 75619 Pos Early
gamma-glutamylglycine Peptide Gamma-glutamyl Amino Acid ACIJGUBIMXQCMF-BYPYZUCNSA-N O=C(O)[C@@H](N)CCC(NCC(O)=O)=O 1948-29-4 145071 HMDB0011667 100099 Pos Early
stachydrine Xenobiotics Food Component/Plant CMUNUTVVOOHQPW-LURJTMIESA-N C[N+]1(C)[C@H]([C@@]([O-])=O)CCC1 4136-37-2 103115 HMDB0004827 C10172 115244 Pos Early
gamma-glutamylmethionine Peptide Gamma-glutamyl Amino Acid RQNSKRXMANOPQY-BQBZGAKWSA-N O=C(O)[C@H](CCSC)NC(CC[C@@H](C(O)=O)N)=O 17663-87-5 5373147 HMDB0029155 7009567 Pos Early
gamma-glutamylthreonine Peptide Gamma-glutamyl Amino Acid GWNXFCYUJXASDX-JUZNGCLZSA-N CC(O)[C@@H](C(O)=O)NC(CC[C@@H](C(O)=O)N)=O 5652-48-2 21403107 HMDB0029159 76078708 Pos Early
N-acetylproline Amino Acid Urea cycle; Arginine and Proline Metabolism GNMSLDIYJOSUSW-UHFFFAOYSA-N O=C(O)C(CCC1)N1C(C)=O 1074-79-9 285677 HMDB0094701 322640 Pos Early
isovalerylcarnitine (C5) Amino Acid "Leucine, Isoleucine and Valine Metabolism" IGQBPDJNUXPEMT-UHFFFAOYSA-N [O-]C(CC(C[N+](C)(C)C)OC(CC(C)C)=O)=O 31023-24-2 4932271 HMDB0000688 C20826 169235 Pos Early
7-methylxanthine Xenobiotics Xanthine Metabolism PFWLFWPASULGAN-UHFFFAOYSA-N OC1=C(N2C)C(N=C2)=NC(O)=N1 552-62-5 61660 HMDB0001991 C16353 68374 Pos Early
N1-methylinosine Nucleotide "Purine Metabolism, (Hypo)Xanthine/Inosine containing" WJNGQIYEQLPJMN-UHFFFAOYSA-N OC(C1O)C(OC1CO)N(C=N2)C(N=CN3C)=C2C3=O 20245-33-4 513976 HMDB0002721 650095 Pos Early
"N2,N2-dimethylguanosine" Nucleotide "Purine Metabolism, Guanine containing" RSPURTUNRHNVGF-IOSLPCCCSA-N O=C1C(N=CN2[C@@]3([H])[C@@](O)([H])[C@@](O)([H])[C@](CO)([H])O3)=C2N=C(N(C)C)N1 2140-67-2 83878 HMDB0004824 135501639 Pos Early
N4-acetylcytidine Nucleotide "Pyrimidine Metabolism, Cytidine containing" NIDVTARKFBZMOT-PEBGCTIMSA-N O[C@]1([H])[C@@](O)([H])[C@](CO)([H])O[C@]1(N2C(N=C(NC(C)=O)C=C2)=O)[H] 3768-18-1 96702 HMDB0005923 107461 Pos Early
cysteine-glutathione disulfide Amino Acid Glutathione Metabolism BNRXZEPOHPEEAS-UHFFFAOYSA-N NC(C(O)=O)CCC(NC(CSSCC(N)C(O)=O)C(NCC(O)=O)=O)=O 13081-14-6 3455404 HMDB0000656 R00900 3080690 Pos Early
7-methylguanine Nucleotide "Purine Metabolism, Guanine containing" FZWGECJQACGGTI-UHFFFAOYSA-N O=C1C(N2C)=C(N=C2)N=C(N)N1 578-76-7 10883 HMDB0000897 C02242 135398679 Pos Early
3-methylcytidine Nucleotide "Pyrimidine Metabolism, Cytidine containing" RDPUKVRQKWBSPK-ZOQUXTDFSA-N O[C@]([C@@]1(O)[H])([C@](O[C@](CO)1[H])([H])N2C=CC(N(C)C2=O)=N)[H] 21028-20-6 9164190 HMDB0240577 14237477 Pos Early
gamma-glutamylisoleucine* Peptide Gamma-glutamyl Amino Acid SNCKGJWJABDZHI-SIPWABPFSA-N CCC(C)[C@@H](C(O)=O)NC(CC[C@@H](C(O)=O)N)=O 21403145 HMDB0011170 22885096 Pos Early
2-methylbutyrylcarnitine (C5) Amino Acid "Leucine, Isoleucine and Valine Metabolism" IHCPDBBYTYJYIL-UHFFFAOYSA-N CCC(C)C(OC(CC([O-])=O)C[N+](C)(C)C)=O 31023-25-3 4932320 HMDB0000378 6426901 Pos Early
lidocaine Xenobiotics "Drug - Analgesics, Anesthetics" NNJVILVZKWQKPM-UHFFFAOYSA-N CC1=CC=CC(C)=C1NC(CN(CC)CC)=O 137-58-6 3548 HMDB0014426 D00358 3676 Pos Early
N-ethylglycinexylidide Xenobiotics "Drug - Analgesics, Anesthetics" WRMRXPASUROZGT-UHFFFAOYSA-N CC1=CC=CC(C)=C1NC(CNCC)=O 7728-40-7 22824 HMDB0060656 C16561 24415 Pos Early
glutamine_degradant* Partially Characterized Molecules Partially Characterized Molecules NPWMTBZSRRLQNJ-UHFFFAOYSA-N O=C(CCC1N)NC1=O 2353-44-8 Pos Early
homostachydrine* Xenobiotics Food Component/Plant XULZWQRXYTVUTE-ZETCQYMHSA-N C[N+]1(C)[C@@H](CCCC1)[C@]([O-])=O 1195-94-4 390180 HMDB0033433 C08283 441447 Pos Early
glutarylcarnitine (C5-DC) Amino Acid Lysine Metabolism NXJAXUYOQLTISD-UHFFFAOYSA-N [O-]C(CC(C[N+](C)(C)C)OC(CCCC(O)=O)=O)=O 102636-82-8 21403175 HMDB0013130 71317118 Pos Early
beta-hydroxyisovaleroylcarnitine Amino Acid "Leucine, Isoleucine and Valine Metabolism" IGLHHSKNBDXCEY-UHFFFAOYSA-N [O-]C(CC(C[N+](C)(C)C)OC(CC(O)(C)C)=O)=O 99159-87-2 21403176 Pos Early
tiglylcarnitine (C5:1-DC) Amino Acid "Leucine, Isoleucine and Valine Metabolism" WURBQCVBQNMUQT-RMKNXTFCSA-N [O-]C(CC(C[N+](C)(C)C)OC(/C(C)=C/C)=O)=O 64191-86-2 17216200 HMDB0002366 22833596 Pos Early
N-acetyl-aspartyl-glutamate (NAAG) Amino Acid Glutamate Metabolism OPVPGKGADVGKTG-UHFFFAOYSA-N CC(NC(C(NC(CCC(O)=O)C(O)=O)=O)CC(O)=O)=O 3106-85-2 5065 HMDB0001067 C12270 188803 Pos Early
glycerophosphoethanolamine Lipid Phospholipid Metabolism JZNWSCPGTDBMEW-UHFFFAOYSA-N O=P(OCCN)(O)OCC(CO)O 33049-08-0 110410 HMDB0000114 C01233 123874 Pos Early
ectoine Xenobiotics Chemical WQXNXVUDBPYKBA-YFKPBYRVSA-N O=[C@](O)[C@H]1N=C(C)NCC1 96702-03-3 112069 HMDB0240650 C06231 126041 Pos Early
deoxycarnitine Lipid Carnitine Metabolism JHPNVNIEXXLNTR-UHFFFAOYSA-N C[N+](C)(C)CCCC([O-])=O 6249-56-5 705 HMDB0001161 C01181 22620 Pos Early
1-ribosyl-imidazoleacetate* Amino Acid Histidine Metabolism AHPWEWASPTZMEK-UHFFFAOYSA-N OCC(O1)C(O)C(O)C1N2C=NC(CC(O)=O)=C2 29605-99-0 4292299 HMDB0002331 C05131 440569 Pos Early
tryptophan betaine Amino Acid Tryptophan Metabolism AOHCBEAZXHZMOR-ZDUSSCGKSA-N O=C([O-])[C@@H]([N@+](C)(C)C)CC1=CNC2=C1C=CC=C2 20671-76-5 390633 HMDB0061115 C09213 442106 Pos Early
pyrraline Xenobiotics Food Component/Plant VTYFITADLSVOAS-UHFFFAOYSA-N NC(C(O)=O)CCCCN1C(C=O)=CC=C1CO 74509-14-1 19980286 HMDB0033143 C21013 14274616 Pos Early
dimethylarginine (SDMA + ADMA) Amino Acid Urea cycle; Arginine and Proline Metabolism YDGMGEXADBMOMJ-LURJTMIESA-N N[C@@H](CCCNC(N(C)C)=N)C(O)=O 102783-24-4 110375 "HMDB0003334,HMDB0001539" "C21189,C03626" "123,831,169,148" Pos Early
gamma-glutamylalanine Peptide Gamma-glutamyl Amino Acid WQXXXVRAFAKQJM-WHFBIAKZSA-N C[C@H](NC(CC[C@H](N)C(O)=O)=O)C(O)=O 5875-41-2 389104 HMDB0029142 C03738 440103 Pos Early
succinylcarnitine (C4-DC) Energy TCA Cycle HAEVNYBCYZZDFL-UHFFFAOYSA-N [O-]C(CC(C[N+](C)(C)C)OC(CCC(O)=O)=O)=O 256928-74-2 28639166 HMDB0061717 71464481 Pos Early
N-methylproline Amino Acid Urea cycle; Arginine and Proline Metabolism CWLQUGTUXBXTLF-UHFFFAOYSA-N O=C(O)C1N(C)CCC1 475-11-6 541 HMDB0094696 643474 Pos Early
cysteine sulfinic acid Amino Acid "Methionine, Cysteine, SAM and Taurine Metabolism" ADVPTQAUNPRNPO-UHFFFAOYSA-N O=C(C(CS(O)=O)N)O 207121-48-0 107 HMDB0000996 C00606 109 Pos Early
ergothioneine Xenobiotics Food Component/Plant SSISHJJTAXXQAX-UHFFFAOYSA-N S=C1NC(CC(C([O-])=O)[N+](C)(C)C)=CN1 58511-63-0 2297320 HMDB0003045 C05570 5351619 Pos Early
5-(galactosylhydroxy)-lysine Amino Acid Lysine Metabolism OWGKYELXGFKIHH-MYLOADSESA-N O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)OC1OC(CCC(N)C(O)=O)CN 32448-36-5 66995551 Pos Early
cysteinylglycine disulfide* Amino Acid Glutathione Metabolism ZHRLECIZINSPKL-AKGZTFGVSA-N OC(CNC(C(N)CSSC[C@@H](C(O)=O)N)=O)=O 70555-24-7 17215992 HMDB0000709 22833544 Pos Early
formiminoglutamate Amino Acid Histidine Metabolism NRXIKWMTVXPVEF-BYPYZUCNSA-N OC([C@@H](NC=N)CCC(O)=O)=O 816-90-0 388370 HMDB0000854 C00439 439233 Pos Early
4-hydroxyglutamate Amino Acid Glutamate Metabolism HBDWQSHEVMSFGY-SCQFTWEKSA-N OC(C(O)=O)C[C@@H](C(O)=O)N 2485-33-8 388936 HMDB0001344 C03079 439902 Pos Early
ranitidine Xenobiotics Drug - Gastrointestinal VMXUWOKSQNHOCA-UKTHLTGXSA-N [O-][N+](/C=C(NC)/NCCSCC1=CC=C(CN(C)C)O1)=O 66357-59-3 2272523 HMDB0001930 D00422 3001055 Pos Early
pseudoephedrine Xenobiotics Drug - Respiratory KWGRBVOPPLSCSI-WCBMZHEXSA-N O[C@@H](C1=CC=CC=C1)[C@H](C)NC 90-82-4 6761 HMDB0001943 C02765 7028 Pos Early
argininate* Amino Acid Urea cycle; Arginine and Proline Metabolism BMFMQGXDDJALKQ-BYPYZUCNSA-N N=C(N)NCCC[C@H](O)C(O)=O 157-07-3 140984 HMDB0003148 160437 Pos Early
2-oxoarginine* Amino Acid Urea cycle; Arginine and Proline Metabolism ARBHXJXXVVHMET-UHFFFAOYSA-N OC(C(CCC/N=C(N)/N)=O)=O 10/4/15 542 HMDB0004225 C03771 558 Pos Early
1-methyl-5-imidazoleacetate Amino Acid Histidine Metabolism UJCGYTCAMOHYCG-UHFFFAOYSA-N O=C(O)CC1=CN=CN1C 4200-48-0 4954265 HMDB04988 6451814 Pos Early
S-methylcysteine sulfoxide Amino Acid "Methionine, Cysteine, SAM and Taurine Metabolism" ZZLHPCSGGOGHFW-UHFFFAOYSA-N NC(CS(C)=O)C(O)=O 6853-87-8 74136 HMDB0029432 82142 Pos Early
leucylglycine Peptide Dipeptide LESXFEZIFXFIQR-UHFFFAOYSA-N O=C(C(CC(C)C)N)NCC(O)=O 686-50-0 71402 HMDB0028929 79070 Pos Early
carboxyethyl-GABA Amino Acid Glutamate Metabolism SRGQUICKDUQCKO-UHFFFAOYSA-N O=C(CCCNCCC(O)=O)O 3/2/86 2474 HMDB0002201 2572 Pos Early
trimethylamine N-oxide Lipid Phospholipid Metabolism UYPYRKYUKCHHIB-UHFFFAOYSA-N C[N+](C)([O-])C 1184-78-7 1113 HMDB0000925 C01104 1145 Pos Early
N6-methyllysine Amino Acid Lysine Metabolism PQNASZJZHFPQLE-LURJTMIESA-N O=C([C@H](CCCCNC)N)O 1188-07-4 144469 HMDB0002038 C02728 164795 Pos Early
imidazole propionate Amino Acid Histidine Metabolism ZCKYOWGFRHAZIQ-UHFFFAOYSA-N OC(CCC1=CN=CN1)=O 1074-59-5 63798 HMDB0002271 70630 Pos Early
alliin Xenobiotics Food Component/Plant XUHLIQGRKRUKPH-ITZCMCNPSA-N C=CCS(C[C@H](N)C(O)=O)=O 556-27-4 78760 HMDB0033592 C08265 87310 Pos Early
prolylglycine Peptide Dipeptide RNKSNIBMTUYWSH-YFKPBYRVSA-N O=[C@]([C@H]1NCCC1)NCC(O)=O 2578-57-6 4932143 HMDB0011178 6426709 Pos Early
lanthionine Amino Acid "Methionine, Cysteine, SAM and Taurine Metabolism" DWPCPZJAHOETAG-IMJSIDKUSA-N O=C([C@H](CSC[C@@H](C(O)=O)N)N)O 8/2/83 88959 98504 Pos Early
(R)-3-hydroxybutyrylcarnitine Lipid "Fatty Acid Metabolism (Acyl Carnitine, Hydroxy)" UEFRDQSMQXDWTO-UHFFFAOYSA-N CC(CC(OC(C[N+](C)(C)C)CC([O-])=O)=O)O HMDB0013127 53481617 Pos Early
N-acetylcarnosine Amino Acid Histidine Metabolism BKAYIFDRRZZKNF-VIFPVBQESA-N OC([C@H](CC1=CN=CN1)NC(CCNC(C)=O)=O)=O 56353-15-2 8079136 HMDB0012881 9903482 Pos Early
histidine betaine (hercynine)* Xenobiotics Food Component/Plant GPPYTCRVKHULJH-UHFFFAOYSA-N C[N+](C)(C(C([O-])=O)CC1=CN=CN1)C 534-30-5 2340795 HMDB0029422 3083620 Pos Early
dimethyl sulfone Xenobiotics Chemical HHVIBTZHLRERCL-UHFFFAOYSA-N CS(C)(=O)=O 67-71-0 5978 HMDB0004983 C11142 6213 Pos Early
indolin-2-one Xenobiotics Food Component/Plant JYGFTBXVXVMTGB-UHFFFAOYSA-N O=C1CC2=C(N1)C=CC=C2 59-48-3 284794 C12312 321710 Pos Early
S-allylcysteine Xenobiotics Food Component/Plant ZFAHNWWNDFHPOH-UHFFFAOYSA-N OC(C(CSCC=C)N)=O 21593-77-1 88744 HMDB0034323 98280 Pos Early
2-aminoheptanoate Lipid "Fatty Acid, Amino" RDFMDVXONNIGBC-UHFFFAOYSA-N OC(C(CCCCC)N([H])[H])=O 1115-90-8 198338 HMDB0094649 227939 Pos Early
methionine sulfone Amino Acid "Methionine, Cysteine, SAM and Taurine Metabolism" UCUNFLYVYCGDHP-UHFFFAOYSA-N O=S(C)(CCC(N)C(O)=O)=O 820-10-0 63154 HMDB0062174 69961 Pos Early
fructosyllysine Amino Acid Lysine Metabolism BFSYFTQDGRDJNV-QCNRFFRDSA-N OC[C@@H](O)[C@@H](O)[C@H](O)C(CNCCCC[C@@H](N)C(O)=O)=O 21291-40-7 110281 HMDB0034879 9839580 Pos Early
N-methylpipecolate Xenobiotics Bacterial/Fungal BPSLZWSRHTULGU-ZCFIWIBFSA-N CN1[C@@H](C(O)=O)CCCC1 41447-17-0 9461516 11286529 Pos Early
3-methylglutarylcarnitine (2) Amino Acid "Leucine, Isoleucine and Valine Metabolism" HFCPFJNSBPQJDP-UHFFFAOYSA-N [O-]C(CC(C[N+](C)(C)C)OC(CC(C)CC(O)=O)=O)=O 113619 HMDB0000552 128145 Pos Early
phenylacetylcarnitine Peptide Acetylated Peptides DZTZJNGATJMDSH-CYBMUJFWSA-N O=C(CC1=CC=CC=C1)O[C@H](CC([O-])=O)C[N+](C)(C)C 287108-21-8 101724840 Pos Early
N-acetyl sulfapyridine Xenobiotics Drug - Antibiotic CYLYVXPHAQLXFG-UHFFFAOYSA-N CC(NC(C=C1)=CC=C1S(NC2=NC=CC=C2)(=O)=O)=O 19077-98-6 52841 58638 Pos Early
C-glycosyltryptophan Amino Acid Tryptophan Metabolism CPXSBHKDEPPWIX-RAYCSJGISA-N N[C@H](C(O)=O)CC1=C([C@H]([C@H]([C@@H](O)[C@@H]2O)O)O[C@@H]2CO)NC3=CC=CC=C13 180509-18-6 9157171 HMDB0240296 10981970 Pos Early
N-acetylglucosamine/N-acetylgalactosamine Carbohydrate Aminosugar Metabolism OVRNDRQMDRJTHS-FMDGEEDCSA-N O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)NC(C)=O "HMDB0000212,HMDB0000215" C01074 "43,917,484,265" Pos Early
adipoylcarnitine (C6-DC) Lipid "Fatty Acid Metabolism (Acyl Carnitine, Dicarboxylate)" BSVHAXJKBCWVDA-UHFFFAOYSA-N [O-]C(CC(OC(CCCCC(O)=O)=O)C[N+](C)(C)C)=O 28540385 HMDB0061677 71296139 Pos Early
thioproline Xenobiotics Chemical DZLNHFMRPBPULJ-VKHMYHEASA-N O=C(O)[C@]1(NCSC1)[H] 34592-47-4 84120 HMDB0062164 93176 Pos Early
2-methylserine Amino Acid "Glycine, Serine and Threonine Metabolism" CDUUKBXTEOFITR-UHFFFAOYSA-N OCC(N)(C)C(O)=O 85112 C02115 94309 Pos Early
(S)-3-hydroxybutyrylcarnitine Lipid "Fatty Acid Metabolism (Acyl Carnitine, Hydroxy)" UEFRDQSMQXDWTO-UHFFFAOYSA-N CC(O)CC(OC(C[N+](C)(C)C)CC([O-])=O)=O HMDB0013127 71464477 Pos Early
2'-O-methylcytidine Nucleotide "Pyrimidine Metabolism, Cytidine containing" RFCQJGFZUQFYRF-ZOQUXTDFSA-N O=C1N(C=CC(N)=N1)[C@@H]([C@H](OC)[C@@H]2O)O[C@@H]2CO 2140-72-9 133067 150971 Pos Early
gamma-glutamyl-alpha-lysine Peptide Gamma-glutamyl Amino Acid LNLLNTMHVMIMOG-YUMQZZPRSA-N O=C(N[C@@H](CCCCN)C(O)=O)CC[C@H](N)C(O)=O 58747 65254 Pos Early
ondansetron Xenobiotics Drug - Gastrointestinal FELGMEQIXOGIFQ-UHFFFAOYSA-N CC1=NC=CN1CC2CCC3=C(C2=O)c4c(N3C)cccc4 99614-02-5 4434 HMDB0005035 C07325 4595 Pos Early
"N,N,N-trimethyl-5-aminovalerate" Amino Acid Lysine Metabolism CDLVFVFTRQPQFU-UHFFFAOYSA-N C[N+](C)(C)CCCCC([O-])=O 34236878 14274897 Pos Early
(N(1) + N(8))-acetylspermidine Amino Acid Polyamine Metabolism MQTAVJHICJWXBR-UHFFFAOYSA-N CC(NCCCNCCCCN)=O "HMDB0002189,HMDB0001276" "C01029,C00612" "496,123,689" Pos Early
3-hydroxystachydrine* Xenobiotics Food Component/Plant DJMIFDZBCUUQJN-NTSWFWBYSA-N O[C@@H]1[C@H](C([O-])=O)[N+](C)(C)CC1 391002 C10151 46173781 Pos Early
hydroxyasparagine** Amino Acid Alanine and Aspartate Metabolism ZBYVTTSIVDYQSO-REOHCLBHSA-N O=C(O)[C@@H](N)CC(NO)=O 88149 HMDB32332 C20631 15991574 Pos Early
3-hydroxybutyroylglycine** Lipid Fatty Acid Metabolism (Acyl Glycine) VMIWHQCIHIUYCS-UHFFFAOYSA-N O=C(CC(O)C)NCC(O)=O Pos Early
"N,N,N-trimethyl-alanylproline betaine (TMAP)" Amino Acid Urea cycle; Arginine and Proline Metabolism KXONJPJIFNGMCN-UHFFFAOYSA-N O=C(C([N+](C)(C)C)C)N1CCCC1C([O-])=O HMDB0240365 Pos Early
3-formylindole Xenobiotics Food Component/Plant OLNJUISKUQQNIM-UHFFFAOYSA-N O=CC1=CNC2=CC=CC=C12 487-89-8 9838 HMDB29737 C08493 10256 Pos Early
gamma-glutamylcitrulline* Peptide Gamma-glutamyl Amino Acid SCTJBDDLOROJJM-UHFFFAOYSA-N NC(C(O)=O)CCC(NC(CCCNC(N)=O)C(O)=O)=O Pos Early
glutamine conjugate of C7H12O2* Partially Characterized Molecules Partially Characterized Molecules Pos Early
3-amino-2-piperidone Amino Acid Urea cycle; Arginine and Proline Metabolism YCCMTCQQDULIFE-UHFFFAOYSA-N NC1CCCNC1=O 1892-22-4 4371576 HMDB0000323 5200225 Pos Early
"N,N-dimethylalanine" Amino Acid Alanine and Aspartate Metabolism QCYOIFVBYZNUNW-BYPYZUCNSA-N C[C@@](C(O)=O)(N(C)C)[H] 2812-31-9 4589713 5488191 Pos Early
ethyl beta-glucopyranoside Xenobiotics Food Component/Plant WYUFTYLVLQZQNH-JAJWTYFOSA-N O[C@H]([C@H]1O)[C@@H]([C@@H](CO)O[C@H]1OCC)O 108559 HMDB0029968 121667 Pos Early
6-bromotryptophan Amino Acid Tryptophan Metabolism OAORYCZPERQARS-UHFFFAOYSA-N Brc1ccc2c(CC(N)C(O)=O)c[nH]c2c1 9856996 Pos Early
"N6,N6-dimethyllysine" Amino Acid Lysine Metabolism XXEWFEBMSGLYBY-ZETCQYMHSA-N OC([C@@H](N)CCCCN(C)C)=O 2259-86-1 167778 HMDB0013287 C05545 193344 Pos Early
N-acetyl-isoputreanine Amino Acid Polyamine Metabolism YGIAGXACEXFIDU-UHFFFAOYSA-N O=C(C)NCCCNCCCC(O)=O 131802901 Pos Early
"N2-acetyl,N6,N6-dimethyllysine" Amino Acid Lysine Metabolism UNPVIYLDJYPILW-VIFPVBQESA-N OC([C@@H](NC(C)=O)CCCCN(C)C)=O Pos Early
"N2-acetyl,N6-methyllysine" Amino Acid Lysine Metabolism MKWKYAGEJHBUOX-QMMMGPOBSA-N OC([C@@H](NC(C)=O)CCCCNC)=O Pos Early
ranitidine N-oxide* Xenobiotics Drug - Gastrointestinal DFJVUWAHTQPQCV-MDWZMJQESA-N [O-][N+](C)(C)CC1=CC=C(CSCCN([H])/C(N([H])C)=C/[N+]([O-])=O)O1 2298463 62985 Pos Early
3-hydroxyhexanoylcarnitine (1) Lipid "Fatty Acid Metabolism (Acyl Carnitine, Hydroxy)" VYEONLJQPYRKAN-UHFFFAOYSA-N C[N+](C)(C)CC(OC(CC(O)CCC)=O)CC([O-])=O Pos Early
"hydroxy-N6,N6,N6-trimethyllysine*" Amino Acid Lysine Metabolism ZRJHLGYVUCPZNH-MQWKRIRWSA-N [O-]C([C@@H](N)C(O)CCC[N+](C)(C)C)=O Pos Early
S-carboxyethylcysteine Amino Acid "Methionine, Cysteine, SAM and Taurine Metabolism" CAMXXPUSAROUCX-BYPYZUCNSA-N SC[C@@H](C(O)=O)NCCC(O)=O 4033-46-9 19955529 Pos Early
N-acetyl-2-aminoadipate Amino Acid Lysine Metabolism FTTGAAZKBNZDCZ-LURJTMIESA-N CC(N[C@@](CCCC(O)=O)(C(O)=O)[H])=O 392027 C12986 443992 Pos Early
3-hydroxyoctanoylcarnitine (1) Lipid "Fatty Acid Metabolism (Acyl Carnitine, Hydroxy)" RCXSFDNDEVSQNG-UHFFFAOYSA-N [O-]C(CC(OC(C(O)CCCCCC)=O)C[N+](C)(C)C)=O Pos Early
3-hydroxyoctanoylcarnitine (2) Lipid "Fatty Acid Metabolism (Acyl Carnitine, Hydroxy)" RCXSFDNDEVSQNG-UHFFFAOYSA-N [O-]C(CC(OC(C(O)CCCCCC)=O)C[N+](C)(C)C)=O Pos Early
"N,N-dimethyl-pro-pro" Peptide Modified Peptides VOWFCBSRZKGKTF-UHFFFAOYSA-N O=C(N1CCCC1C([O-])=O)C2CCC[N+]2(C)C Pos Early
oxindolylalanine Amino Acid Tryptophan Metabolism YLEQTOAIAOPFBY-UHFFFAOYSA-N OC(C(N)(C)N(C1=C(C2)C=CC=C1)C2=O)=O 20977764 Pos Early
X-11787 Pos Early
X-11795 Pos Early
X-12096 Pos Early
X-12100 Pos Early
X-12101 Pos Early
X-12112 Pos Early
X-12462 Pos Early
X-12680 Pos Early
X-12798 Pos Early
X-13507 Pos Early
X-13684 Pos Early
X-14056 Pos Early
X-15461 Pos Early
X-15503 Pos Early
X-16397 Pos Early
X-16580 Pos Early
X-22162 Pos Early
X-23583 Pos Early
X-23587 Pos Early
X-23593 Pos Early
X-23636 Pos Early
X-23639 Pos Early
X-23644 Pos Early
X-23654 Pos Early
X-23659 Pos Early
X-23665 Pos Early
X-23739 Pos Early
X-23780 Pos Early
X-24241 Pos Early
X-24243 Pos Early
X-24422 Pos Early
X-24456 Pos Early
X-24473 Pos Early
X-24475 Pos Early
X-24518 Pos Early
X-24728 Pos Early
X-24736 Pos Early
X-24812 Pos Early
X-24970 Pos Early
X-25172 Pos Early
X-25265 Pos Early
X-25267 Pos Early
X-25271 Pos Early
X-25343 Pos Early
X-25419 Pos Early
X-25420 Pos Early
X-25422 Pos Early
X-25519 Pos Early
X-25520 Pos Early
X-25790 Pos Early
X-25810 Pos Early
X-25948 Pos Early
X-25957 Pos Early
X-26058 Pos Early
X-26097 Pos Early
METABOLITES_END
#END