#METABOLOMICS WORKBENCH gabrieltofani_20240906_052007 DATATRACK_ID:5176 STUDY_ID:ST003471 ANALYSIS_ID:AN005706 PROJECT_ID:PR002130 VERSION 1 CREATED_ON September 6, 2024, 11:22 am #PROJECT PR:PROJECT_TITLE Gut Microbiota Regulates Stress Responsivity via the Circadian System PR:PROJECT_SUMMARY Metabolomics of adult mice Amygdala and Hippocampus. Samples collected from PR:PROJECT_SUMMARY conventional, antibiotic-treated and germ-free mice across 4 timepoints of the PR:PROJECT_SUMMARY day. The goal of the project is to investigate the role of the gut microbiota on PR:PROJECT_SUMMARY the circadian patterns of metabolites in the brain. Results indicated that PR:PROJECT_SUMMARY metabolites involved in glutamate metabolism are altered across the day PR:PROJECT_SUMMARY depending on microbial status. PR:INSTITUTE University College Cork PR:DEPARTMENT Anatomy & Neuroscience PR:LABORATORY Microbiome Gut Brain Axis PR:LAST_NAME John PR:FIRST_NAME Cryan PR:ADDRESS College Road, Cork, County Cork, T12 XF62, Ireland PR:EMAIL gabriel.tofani@ucc.ie PR:PHONE +353 (0)21 4903500 PR:FUNDING_SOURCE Saks Kavanaugh #STUDY ST:STUDY_TITLE Gut Microbiota Regulates Stress Responsivity via the Circadian System - Mice ST:STUDY_TITLE Hippocampus ST:STUDY_SUMMARY Stress and circadian systems are interconnected through the ST:STUDY_SUMMARY hypothalamic-pituitary-adrenal (HPA) axis to maintain appropriate responses to ST:STUDY_SUMMARY external stimuli. Yet, the mechanisms of how such signals are orchestrated ST:STUDY_SUMMARY remains unknown. We now uncover the gut microbiota as a regulator of HPA-axis ST:STUDY_SUMMARY rhythmic function. Additionally, microbiota depletion markedly disturbs the ST:STUDY_SUMMARY brain transcriptome and metabolome in key stress response pathways in the ST:STUDY_SUMMARY hippocampus and amygdala across the day. This is coupled with a dysregulation of ST:STUDY_SUMMARY the master circadian pacemaker in the brain that resulted in perturbed ST:STUDY_SUMMARY glucocorticoid rhythmicity. The resulting hyper-activation of the HPA-axis at ST:STUDY_SUMMARY the sleep/wake transition drives time-of-day-specific impairments of the stress ST:STUDY_SUMMARY response and altered stress-sensitive behaviors. Finally, using microbiota ST:STUDY_SUMMARY transplantation we confirm that diurnal oscillations of gut microbes underlie ST:STUDY_SUMMARY altered glucocorticoid secretion and identify L. reuteri as a candidate strain ST:STUDY_SUMMARY for such effects. Together, our data offers compelling evidence that the ST:STUDY_SUMMARY microbiota regulates stress responsiveness in a circadian manner and is ST:STUDY_SUMMARY necessary to respond adaptively to psychological stressors throughout the day. ST:INSTITUTE University College Cork ST:DEPARTMENT Anatomy & Neuroscience ST:LABORATORY Microbiome Gut Brain Axis ST:LAST_NAME John ST:FIRST_NAME Cryan ST:ADDRESS 4th Floor, Block E, Food Science Building, University College Cork, College ST:ADDRESS Road, Cork, Ireland. ST:EMAIL j.cryan@ucc.ie ST:PHONE +353 (0)21 4903500 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:AGE_OR_AGE_RANGE 8-14 weeks SU:GENDER Male SU:ANIMAL_ANIMAL_SUPPLIER Taconic Biosciences SU:ANIMAL_LIGHT_CYCLE 12h Light/Dark #FACTORS #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 - GF_49 GROUP_ID:GF_ZT5 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - GF_51 GROUP_ID:GF_ZT5 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - GF_52 GROUP_ID:GF_ZT5 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - GF_24 GROUP_ID:GF_ZT5 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - GF_25 GROUP_ID:GF_ZT5 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - GF_26 GROUP_ID:GF_ZT5 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - GF_27 GROUP_ID:GF_ZT5 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - GF_28 GROUP_ID:GF_ZT5 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - GF_32 GROUP_ID:GF_ZT11 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - GF_36 GROUP_ID:GF_ZT11 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - GF_41 GROUP_ID:GF_ZT11 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - GF_42 GROUP_ID:GF_ZT11 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - GF_43 GROUP_ID:GF_ZT11 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - GF_45 GROUP_ID:GF_ZT11 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - GF_47 GROUP_ID:GF_ZT11 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - GF_48 GROUP_ID:GF_ZT11 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - GF_91 GROUP_ID:GF_ZT17 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - GF_92 GROUP_ID:GF_ZT17 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - GF_93 GROUP_ID:GF_ZT17 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - GF_94 GROUP_ID:GF_ZT17 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - GF_95 GROUP_ID:GF_ZT17 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - GF_96 GROUP_ID:GF_ZT17 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - GF_97 GROUP_ID:GF_ZT17 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - GF_98 GROUP_ID:GF_ZT17 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - GF_54 GROUP_ID:GF_ZT23 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - GF_55 GROUP_ID:GF_ZT23 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - GF_56 GROUP_ID:GF_ZT23 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - GF_57 GROUP_ID:GF_ZT23 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - GF_59 GROUP_ID:GF_ZT23 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - GF_60 GROUP_ID:GF_ZT23 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - GF_61 GROUP_ID:GF_ZT23 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - GF_53 GROUP_ID:GF_ZT23 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - CV_6 GROUP_ID:CV_ZT5 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - CV_7 GROUP_ID:CV_ZT5 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - CV_8 GROUP_ID:CV_ZT5 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - CV_9 GROUP_ID:CV_ZT5 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - CV_10 GROUP_ID:CV_ZT5 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - CV_11 GROUP_ID:CV_ZT5 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - CV_12 GROUP_ID:CV_ZT5 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - CV_13 GROUP_ID:CV_ZT5 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - CV_16 GROUP_ID:CV_ZT11 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - CV_17 GROUP_ID:CV_ZT11 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - CV_18 GROUP_ID:CV_ZT11 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - CV_19 GROUP_ID:CV_ZT11 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - CV_20 GROUP_ID:CV_ZT11 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - CV_101 GROUP_ID:CV_ZT11 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - CV_102 GROUP_ID:CV_ZT11 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - CV_66 GROUP_ID:CV_ZT17 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - CV_67 GROUP_ID:CV_ZT17 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - CV_68 GROUP_ID:CV_ZT17 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - CV_69 GROUP_ID:CV_ZT17 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - CV_70 GROUP_ID:CV_ZT17 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - CV_71 GROUP_ID:CV_ZT17 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - CV_122 GROUP_ID:CV_ZT17 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - CV_123 GROUP_ID:CV_ZT17 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - CV_78 GROUP_ID:CV_ZT23 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - CV_79 GROUP_ID:CV_ZT23 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - CV_80 GROUP_ID:CV_ZT23 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - CV_81 GROUP_ID:CV_ZT23 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - CV_82 GROUP_ID:CV_ZT23 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - CV_83 GROUP_ID:CV_ZT23 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - CV_117 GROUP_ID:CV_ZT23 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - CV_118 GROUP_ID:CV_ZT23 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - ABX_72 GROUP_ID:ABX_ZT5 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - ABX_73 GROUP_ID:ABX_ZT5 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - ABX_74 GROUP_ID:ABX_ZT5 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - ABX_75 GROUP_ID:ABX_ZT5 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - ABX_76 GROUP_ID:ABX_ZT5 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - ABX_77 GROUP_ID:ABX_ZT5 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - ABX_84 GROUP_ID:ABX_ZT5 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - ABX_86 GROUP_ID:ABX_ZT5 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - ABX_62 GROUP_ID:ABX_ZT11 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - ABX_63 GROUP_ID:ABX_ZT11 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - ABX_64 GROUP_ID:ABX_ZT11 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - ABX_65 GROUP_ID:ABX_ZT11 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - ABX_87 GROUP_ID:ABX_ZT11 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - ABX_88 GROUP_ID:ABX_ZT11 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - ABX_89 GROUP_ID:ABX_ZT11 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - ABX_90 GROUP_ID:ABX_ZT11 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - ABX_104 GROUP_ID:ABX_ZT17 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - ABX_105 GROUP_ID:ABX_ZT17 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - ABX_106 GROUP_ID:ABX_ZT17 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - ABX_107 GROUP_ID:ABX_ZT17 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - ABX_108 GROUP_ID:ABX_ZT17 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - ABX_119 GROUP_ID:ABX_ZT17 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - ABX_121 GROUP_ID:ABX_ZT17 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - ABX_109 GROUP_ID:ABX_ZT23 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - ABX_110 GROUP_ID:ABX_ZT23 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - ABX_111 GROUP_ID:ABX_ZT23 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - ABX_112 GROUP_ID:ABX_ZT23 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - ABX_113 GROUP_ID:ABX_ZT23 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - ABX_114 GROUP_ID:ABX_ZT23 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - ABX_115 GROUP_ID:ABX_ZT23 | Sample source:Hippocampus SUBJECT_SAMPLE_FACTORS - ABX_116 GROUP_ID:ABX_ZT23 | Sample source:Hippocampus #COLLECTION CO:COLLECTION_SUMMARY Mice were transferred to a cull room and immediately decapitated. Tissues were CO:COLLECTION_SUMMARY then harvested, stored in PCR-grade tubes and flash-frozen in dry ice. Samples CO:COLLECTION_SUMMARY were stored in -80°C until further analysis. CO:SAMPLE_TYPE Brain #TREATMENT TR:TREATMENT_SUMMARY Treatment = Conventional (Controls) - CV, Germ-Free - GF, Antibiotic Treated - TR:TREATMENT_SUMMARY ABX. Timepoints = ZT (Zeitgeber) 5, 11, 17 and 23. Group_ID = Treatment + TR:TREATMENT_SUMMARY Timepoint (eg. GF_ZT5, GF_ZT11) Details on antibiotic treatment: Mice received TR:TREATMENT_SUMMARY antibiotic treatment in ad libitum drinking water for a period of 14 days. The TR:TREATMENT_SUMMARY antibiotic cocktail consisted of ampicillin sodium salt (1g/L), gentamicin TR:TREATMENT_SUMMARY sulfate (1g/L), vancomycin hydrochloride (0.5g/L) and imipenem (0.25g/L) TR:TREATMENT_SUMMARY (Discovery Fine Chemicals). Water containing antibiotics was replaced every two TR:TREATMENT_SUMMARY days for the duration of the treatment and prepared freshly every time. Cages TR:TREATMENT_SUMMARY were randomly assigned to either vehicle or antibiotic treatment. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY 1. Add pre-weighted sample and stainless steel beads in an extraction tube. 2. SP:SAMPLEPREP_SUMMARY Add MeOH/Water (1:2) 3. Place the ET-1s into the pre-cooled Bead-beater and SP:SAMPLEPREP_SUMMARY homogenize for 4 x 30 sec at 30 Hz. 4. Ultrasonicate the samples for 5 mins 5. SP:SAMPLEPREP_SUMMARY Centrifuge the samples for 5 minutes at 18000 RCF and 4 °C and collect the SP:SAMPLEPREP_SUMMARY supernatant in a Phree filter. 6. Repeat step 2-5 7. Centrifuge the Phree SP:SAMPLEPREP_SUMMARY filters for 5 minutes at 1800 RCF and 4 °C. 8. Collect the filtrate and SP:SAMPLEPREP_SUMMARY transfer it to a new extraction tube, 9. Dry the extracts under nitrogen gas. SP:SAMPLEPREP_SUMMARY 10. Reconstitute 20 x the initial sample weight with Eluent Mix (10% Eluent B in SP:SAMPLEPREP_SUMMARY Eluent A) and shake @ 1000 for 3.5 min therafter vortex for 10 sec. 11. Transfer SP:SAMPLEPREP_SUMMARY 100 ul of the liquid to a filter plate and centrifuge them for 2 mins at 1800 SP:SAMPLEPREP_SUMMARY RCF and 4 °C. 12. Collect the filtrate and dilute five times in eluent A. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Thermo Scientific Vanquish LC coupled to a Q Exactive HF Hybrid CH:CHROMATOGRAPHY_SUMMARY Quadrupole-Orbitrap CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Waters ACQUITY UPLC HSS T3 (150 x 2.1mm,1.8um) CH:SOLVENT_A 100% water; 10 mM ammonium formate; 0.1% formic acid CH:SOLVENT_B 100% methanol; 10 mM ammonium formate; 0.1% formic acid CH:FLOW_GRADIENT 0.0 min 0% B, 2.0 min 0% B, 4.0 min 35% B, 6.0 min 90% B, 14.0 min 90% B, 14.1 CH:FLOW_GRADIENT min 0% B, 15.0 min 0% B CH:FLOW_RATE 300 µl/min CH:COLUMN_TEMPERATURE 30°C #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive HF hybrid Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS Metabolomics processing was performed untargeted using Compound Discoverer 3.3 MS:MS_COMMENTS (Thermo Scientific) and Skyline 22.2 (MacCoss Lab Software) for peak picking and MS:MS_COMMENTS feature grouping, followed by a in-house annotation and curation pipeline MS:MS_COMMENTS written in MatLab (2022b, MathWorks). Identification of compounds were performed MS:MS_COMMENTS at four levels; Level 1: identification by retention times (compared against MS:MS_COMMENTS in-house authentic standards), accurate mass (with an accepted deviation of MS:MS_COMMENTS 3ppm), and MS/MS spectra, Level 2a: identification by retention times (compared MS:MS_COMMENTS against in-house authentic standards), accurate mass (with an accepted deviation MS:MS_COMMENTS of 3ppm). Level 2b: identification by accurate mass (with an accepted deviation MS:MS_COMMENTS of 3ppm), and MS/MS spectra, Level 3: identification by accurate mass alone MS:MS_COMMENTS (with an accepted deviation of 3ppm). #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area MS_METABOLITE_DATA_START Samples GF_49 GF_51 GF_52 GF_24 GF_25 GF_26 GF_27 GF_28 GF_32 GF_36 GF_41 GF_42 GF_43 GF_45 GF_47 GF_48 GF_91 GF_92 GF_93 GF_94 GF_95 GF_96 GF_97 GF_98 GF_54 GF_55 GF_56 GF_57 GF_59 GF_60 GF_61 GF_53 CV_6 CV_7 CV_8 CV_9 CV_10 CV_11 CV_12 CV_13 CV_16 CV_17 CV_18 CV_19 CV_20 CV_101 CV_102 CV_66 CV_67 CV_68 CV_69 CV_70 CV_71 CV_122 CV_123 CV_78 CV_79 CV_80 CV_81 CV_82 CV_83 CV_117 CV_118 ABX_72 ABX_73 ABX_74 ABX_75 ABX_76 ABX_77 ABX_84 ABX_86 ABX_62 ABX_63 ABX_64 ABX_65 ABX_87 ABX_88 ABX_89 ABX_90 ABX_104 ABX_105 ABX_106 ABX_107 ABX_108 ABX_119 ABX_121 ABX_109 ABX_110 ABX_111 ABX_112 ABX_113 ABX_114 ABX_115 ABX_116 Factors GROUP_ID:GF_ZT5 | Sample source:Hippocampus GROUP_ID:GF_ZT5 | Sample source:Hippocampus GROUP_ID:GF_ZT5 | Sample source:Hippocampus GROUP_ID:GF_ZT5 | Sample source:Hippocampus GROUP_ID:GF_ZT5 | Sample source:Hippocampus GROUP_ID:GF_ZT5 | Sample source:Hippocampus GROUP_ID:GF_ZT5 | Sample source:Hippocampus GROUP_ID:GF_ZT5 | Sample source:Hippocampus GROUP_ID:GF_ZT11 | Sample source:Hippocampus GROUP_ID:GF_ZT11 | Sample source:Hippocampus GROUP_ID:GF_ZT11 | Sample source:Hippocampus GROUP_ID:GF_ZT11 | Sample source:Hippocampus GROUP_ID:GF_ZT11 | Sample source:Hippocampus GROUP_ID:GF_ZT11 | Sample source:Hippocampus GROUP_ID:GF_ZT11 | Sample source:Hippocampus GROUP_ID:GF_ZT11 | Sample source:Hippocampus GROUP_ID:GF_ZT17 | Sample source:Hippocampus GROUP_ID:GF_ZT17 | Sample source:Hippocampus GROUP_ID:GF_ZT17 | Sample source:Hippocampus GROUP_ID:GF_ZT17 | Sample source:Hippocampus GROUP_ID:GF_ZT17 | Sample source:Hippocampus GROUP_ID:GF_ZT17 | Sample source:Hippocampus GROUP_ID:GF_ZT17 | Sample source:Hippocampus GROUP_ID:GF_ZT17 | Sample source:Hippocampus GROUP_ID:GF_ZT23 | Sample source:Hippocampus GROUP_ID:GF_ZT23 | Sample source:Hippocampus GROUP_ID:GF_ZT23 | Sample source:Hippocampus GROUP_ID:GF_ZT23 | Sample source:Hippocampus GROUP_ID:GF_ZT23 | Sample source:Hippocampus GROUP_ID:GF_ZT23 | Sample source:Hippocampus GROUP_ID:GF_ZT23 | Sample source:Hippocampus GROUP_ID:GF_ZT23 | Sample source:Hippocampus GROUP_ID:CV_ZT5 | Sample source:Hippocampus GROUP_ID:CV_ZT5 | Sample source:Hippocampus GROUP_ID:CV_ZT5 | Sample source:Hippocampus GROUP_ID:CV_ZT5 | Sample source:Hippocampus GROUP_ID:CV_ZT5 | Sample source:Hippocampus GROUP_ID:CV_ZT5 | Sample source:Hippocampus GROUP_ID:CV_ZT5 | Sample source:Hippocampus GROUP_ID:CV_ZT5 | Sample source:Hippocampus GROUP_ID:CV_ZT11 | Sample source:Hippocampus GROUP_ID:CV_ZT11 | Sample source:Hippocampus GROUP_ID:CV_ZT11 | Sample source:Hippocampus GROUP_ID:CV_ZT11 | Sample source:Hippocampus GROUP_ID:CV_ZT11 | Sample source:Hippocampus GROUP_ID:CV_ZT11 | Sample source:Hippocampus GROUP_ID:CV_ZT11 | Sample source:Hippocampus GROUP_ID:CV_ZT17 | Sample source:Hippocampus GROUP_ID:CV_ZT17 | Sample source:Hippocampus GROUP_ID:CV_ZT17 | Sample source:Hippocampus GROUP_ID:CV_ZT17 | Sample source:Hippocampus GROUP_ID:CV_ZT17 | Sample source:Hippocampus GROUP_ID:CV_ZT17 | Sample source:Hippocampus GROUP_ID:CV_ZT17 | Sample source:Hippocampus GROUP_ID:CV_ZT17 | Sample source:Hippocampus GROUP_ID:CV_ZT23 | Sample source:Hippocampus GROUP_ID:CV_ZT23 | Sample source:Hippocampus GROUP_ID:CV_ZT23 | Sample source:Hippocampus GROUP_ID:CV_ZT23 | Sample source:Hippocampus GROUP_ID:CV_ZT23 | Sample source:Hippocampus GROUP_ID:CV_ZT23 | Sample source:Hippocampus GROUP_ID:CV_ZT23 | Sample source:Hippocampus GROUP_ID:CV_ZT23 | Sample source:Hippocampus GROUP_ID:ABX_ZT5 | Sample source:Hippocampus GROUP_ID:ABX_ZT5 | Sample source:Hippocampus GROUP_ID:ABX_ZT5 | Sample source:Hippocampus GROUP_ID:ABX_ZT5 | Sample source:Hippocampus GROUP_ID:ABX_ZT5 | Sample source:Hippocampus GROUP_ID:ABX_ZT5 | Sample source:Hippocampus GROUP_ID:ABX_ZT5 | Sample source:Hippocampus GROUP_ID:ABX_ZT5 | Sample source:Hippocampus GROUP_ID:ABX_ZT11 | Sample source:Hippocampus GROUP_ID:ABX_ZT11 | Sample source:Hippocampus GROUP_ID:ABX_ZT11 | Sample source:Hippocampus GROUP_ID:ABX_ZT11 | Sample source:Hippocampus GROUP_ID:ABX_ZT11 | Sample source:Hippocampus GROUP_ID:ABX_ZT11 | Sample source:Hippocampus GROUP_ID:ABX_ZT11 | Sample source:Hippocampus GROUP_ID:ABX_ZT11 | Sample source:Hippocampus GROUP_ID:ABX_ZT17 | Sample source:Hippocampus GROUP_ID:ABX_ZT17 | Sample source:Hippocampus GROUP_ID:ABX_ZT17 | Sample source:Hippocampus GROUP_ID:ABX_ZT17 | Sample source:Hippocampus GROUP_ID:ABX_ZT17 | Sample source:Hippocampus GROUP_ID:ABX_ZT17 | Sample source:Hippocampus GROUP_ID:ABX_ZT17 | Sample source:Hippocampus GROUP_ID:ABX_ZT23 | Sample source:Hippocampus GROUP_ID:ABX_ZT23 | Sample source:Hippocampus GROUP_ID:ABX_ZT23 | Sample source:Hippocampus GROUP_ID:ABX_ZT23 | Sample source:Hippocampus GROUP_ID:ABX_ZT23 | Sample source:Hippocampus GROUP_ID:ABX_ZT23 | Sample source:Hippocampus GROUP_ID:ABX_ZT23 | Sample source:Hippocampus GROUP_ID:ABX_ZT23 | Sample source:Hippocampus 1-Methyl Adenosine 3354362 2995827 3175951 3584322 2543729 2997255 2727615 2613172 3211560 2600796 2760773 2311562 3205807 3483270 2514160 2929541 3445948 2735784 3145588 2901191 2934845 3059667 2313400 3434799 3492614 2960553 2520178 2804338 3292944 3583893 2522507 2931076 2391741 2406071 3211715 3537641 3549603 3427296 3435648 3060545 3176747 2956214 2838655 3704398 2368760 2823747 2707242 3194533 2904898 2584609 3143667 2919515 3016771 2632597 2678453 2648506 2948703 2892780 3259494 2986096 2781504 2410900 3214454 2528247 2601562 3564465 3146032 2928988 3327754 2599984 2236652 3012420 2968448 2903435 3068587 3260243 2518544 2221611 2665706 3035494 3102315 2914683 2277373 2513722 3003254 2875159 2783984 2665824 2997053 2813469 3169381 2612209 3332368 2185665 4-Hydroxybenzaldehyde 3903805 2321578 3469398 2605525 3345274 6916660 3985200 2538936 3350862 4769548 4656839 2666454 2468853 2365144 2472264 2636088 1951297 4192343 3688866 2225047 2935689 5751596 4311885 2810804 2766915 3035725 2768897 2933974 3907543 4278580 2977666 2687849 2454427 4795313 4798728 3005201 3438115 3903274 2996752 3390379 3074952 5237467 4382033 3211791 4835491 6267729 4986714 2716159 2073756 2219203 2721117 2606178 2714934 3094593 2543592 2534684 2180443 2516902 2776605 2463803 2174478 4034805 2446812 2840927 2083327 2794263 2851873 2643273 2712236 2721779 2298497 2546677 3157585 2563304 3231698 2827167 3801155 3556111 2486171 3133512 2380476 3517452 2685507 2423866 3278786 2706260 2692833 2385122 2559021 3331710 4226515 2322051 2439507 3801395 Acetylcarnitine 110198846 97537842 133184769 55437503 39022693 58295851 94110334 90980977 19393423 64923379 28833885 30374682 22822394 59832525 56401787 31685421 55879111 27805181 34928496 39479123 32367499 21574253 18143652 60774005 132649559 115630574 106017461 140183122 97689250 226369991 157861097 145194720 56060640 79241240 55525709 96854710 48841315 29571199 53343305 74532956 69054077 36267844 73799486 65854700 140097959 76293893 95071826 146369497 70938397 73131006 45417070 56635105 41991793 24924155 23799806 56171032 41835495 39147064 34978136 27274823 54230549 95206869 96175375 44700648 26023930 47083713 22050010 23331553 18036093 58967396 24349696 44563585 30856359 27014912 38735723 30043428 26957981 8778562 12832288 35354751 21513404 14141774 13440930 17470313 51847192 25441910 26078325 19071574 29768867 15263267 19825095 22127786 31081936 14435171 Adenosine 1658919 2067155 140286422 2453096 1835458 401591987 362245982 2155688 407198637 343805342 155390984 809608 1650877 2285678 1175684 1903405 2560803 239318275 325978365 1692215 1807761 448395955 373060128 1718457 1794755 1064987 1457512 1560060 281800320 277391081 261232221 1631562 153446757 279696904 297474739 1426456 1694612 1454447 1536410 1392172 1736446 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7564943 8120149 11478619 9914749 11155211 11323468 12011575 9992466 6156617 6269618 10952169 10668326 8269801 10458177 10550105 11672435 7975999 11734728 10525054 9650057 9607536 8887566 8474755 11157308 7312792 5673013 9750267 11245060 11354897 11348985 11141388 8256344 5618746 5880827 11429147 9052686 7026512 5294150 8694598 12912631 7920116 8388177 9188766 9719067 7187683 7806720 5691451 11057040 6552397 N-Acetyl-arginine 2601247 2707122 2520153 2563891 2220835 2557217 2457064 2545895 2102362 1998876 2344700 1688457 2322750 1850173 1627930 2321336 2242238 2258258 2433633 1939698 2276398 2447591 2070850 2145120 2749840 1751899 1633922 2314086 2290029 2849937 1847869 2149344 2169821 2664308 3131831 2502622 2357746 2421130 2736990 2150418 1953587 2015191 2087915 2350157 2015531 2357916 2053788 2447851 1801856 1624946 1654479 1828553 1880595 1919503 1620615 1926986 1670968 2179108 2295886 2239814 2458611 2031920 2658620 2618825 1938334 2729390 2195638 2256586 2394773 1870181 1762396 1941703 1929684 1670303 1765002 2106898 2026559 1542657 1415875 1457198 1759854 1668831 1398526 1426370 1713767 1318031 1611371 2091751 2242803 1935978 1840343 1761678 2317194 2232644 N-Acetyl-aspartic acid 62007 143022 252334975 133437 164825417 369359473 368896177 136182 214499566 341198375 339607583 87618 154438 73495 5236909 98299 111634 322626461 377757674 54954 319390 391143963 290021634 66374 669398 136795 65367 161168 292342027 458539452 332812657 284388 222084716 358811400 385137269 432552 2363566 297576 42754350 6316582 1170490 311811435 384659881 955402 318894681 382299943 380692292 48994286 68545360 7426832 44715118 46765280 17438682 138616406 46215523 144856957 13839158 227323131 147999235 3018503 5446487 278905992 5621647 32610927 33161223 40450658 82051422 149838313 87004340 86887398 224376809 7328788 50784492 20704012 48802916 13571589 343651406 299396674 288266711 75188132 63249382 335929646 205593177 8097976 64069628 198004612 72529469 64612850 93512123 322828811 331989096 124187736 39353538 294713102 N-Acetyl-glutamine 1732148 1624449 6290363 2421120 5678225 5912073 5934512 1539465 4881136 5756666 5193957 1173923 1914724 2038591 1849058 2011467 1848965 4924501 5926619 1283817 1628234 6808098 5496067 2185654 2341186 1691835 1394194 1750414 5498472 8027413 5520214 1906303 5307408 5940415 6951109 2429295 2004908 1747776 5969191 2185349 1928080 5618185 6556322 2259059 5076765 7485999 6746833 5962311 5140502 2003493 4200746 4355851 2608760 4729264 3559289 5556926 2448010 5485224 6030201 1910447 2255333 4007600 2322857 3986563 3593496 5369694 4958222 5565944 5680500 5018583 4144573 2375118 4636669 3316491 4676069 3643614 4808752 4783179 4582848 4161623 4375767 5477713 3752999 1677997 4783161 4831281 4775485 4876673 5910644 5499774 5400529 4464851 4572308 4782061 N-Acetylneuraminic acid 1217336 1238535 1087997 1330046 683392 753885 710944 1073009 858857 713005 785646 1022742 1265868 1280450 1004631 1187492 1330791 717725 860122 887085 1054320 780784 601512 1083233 1268932 1013432 795874 1024814 755418 990583 665961 1098850 659871 666040 845168 1117376 1147113 935433 1117395 962042 989137 748185 780838 1091225 918980 820066 773971 1045469 968388 870460 943201 978872 887231 681340 684185 862256 875552 726562 827608 911126 1153724 724790 1061362 986417 926746 1036371 864659 914789 1069820 747389 579597 963223 941299 979462 897075 1013041 853301 628904 666016 827513 871410 741669 580139 740313 947972 841353 869842 947393 1017106 714660 712522 732786 1051433 638937 Nicotine amide 537584812 475280723 592857339 635024073 470693011 588806394 574091778 516001789 514140394 519033666 545785876 432872099 559858169 545316243 437390012 504634917 584242009 501933889 593149154 442488627 509486665 604986415 467958010 581766489 571571298 490721981 406148797 505649852 514587250 681124245 526806198 328774991 456046769 546637568 616265452 614902523 560459724 551040896 605836155 544989332 536196736 548448281 582934069 625223927 521297451 598344699 579040515 564689131 504026014 468149548 516607852 530599900 513455929 486940094 455906976 447258774 446360074 502529656 507756536 484317018 531853592 412189023 545708007 537968533 491564752 607660676 507285994 496054878 577318977 486948376 411805198 536304053 514707022 498980093 520181088 581487311 472890053 482929497 489547982 492343568 489530207 568781475 409791117 437513852 548851091 514445507 518663317 491833814 573460117 522110682 534403621 427417380 589085695 458720028 Pantothenic acid 4257043 4060735 3999315 6228695 3811936 4881487 4859437 4317680 3424841 4113373 4119262 4183717 5252205 5695040 4736869 5195453 5334004 3830560 4552067 3233549 3778814 4672810 3471161 5220232 5783033 4462758 3667956 4693951 4255581 6918415 4538040 4612501 3806153 4358729 4760879 4703119 4178183 3915689 4918077 4199378 4119690 3839362 4548379 5195493 5658677 4304391 4829126 5146531 4169914 3673639 3974410 4608117 3950553 3520553 3028785 4204747 3430287 3740391 4410064 3713181 4213317 4483173 4033677 4896066 3755435 4861879 3914681 4648183 4487087 3686263 3001388 4757454 4482749 4106433 4076826 4841108 5724114 3990266 3908617 3510697 3457115 4725838 2711379 3423608 4439611 3971346 4072338 3939843 4122228 3538069 3920552 3137096 4457937 3165683 Phenylalanine 36400456 28623127 21467433 29689565 12247105 14162726 11752524 22977595 14390482 12701510 15711301 23790452 23859396 38142770 23797301 31361402 35572211 11410045 13614111 19601356 21601541 14240581 10411348 26826819 32603874 27340768 20354896 23697536 17368066 19881631 13076195 25292017 12926684 11396731 12821193 21081298 25599010 19631327 20524687 22585707 24153661 14501719 17311789 25951489 21764900 19264179 18164784 19118623 21825518 22248077 23753332 22982413 18765945 11572981 11911881 20247561 20391091 14814065 19657359 22024143 23703838 17301004 22027952 20264173 20091795 17364316 15187401 16018690 21450432 13686994 10453711 18205608 21645861 23140912 21923962 21174611 17396895 13548755 13601973 20841759 17315842 15556765 11246058 17118783 23969158 14687874 15802160 17138117 17976149 13580654 14727800 10402761 19445594 11861561 Phosphocholine 1359442309 1183507657 1124819028 1493085684 880325590 793778812 689572578 1182593406 1089010157 805988925 877157940 719381549 1415440137 1101411897 1313553743 1534673743 1355699874 816291743 821352286 992023352 1315279301 889061579 833725590 1003649280 1254987356 1244395983 888968040 1225869858 959697111 871667178 805029856 1066554819 799419502 804588720 930695588 1248447045 1346797237 1135618655 1399964344 1338559084 1198872507 861652524 925021636 1322136404 906208605 908981976 882594828 638723603 1249328019 1022796001 1196529216 1182157728 846711802 758481337 762617571 1270563623 911484000 704109801 891806503 1216098228 1228609896 841025027 1212113699 1330631718 1322572227 949967568 1084003963 1026956521 1375864134 852888845 726862990 1080058052 1073392844 1239017885 1147476025 1245024220 1067210808 822880163 852633060 1101435402 1080257805 900576728 784898063 1067732844 1256199538 1129848501 1155399858 1236050946 1228473095 898095077 831795166 1125018766 1370881432 623875131 Propionylcarnitine 260170 364208 276350 2061722 1173315 1936017 1678114 1312726 1794441 1432535 1904481 1267517 2328071 1394551 992947 1151665 2767019 2354222 3946657 2618434 1916374 3165337 3052218 4280649 512617 332065 271448 834747 737872 1287706 626311 467794 1083952 665818 1301366 987809 1270403 1106805 972893 661773 780096 942823 726163 843666 399087 1513503 1124796 1882980 1370933 1401347 1468116 1464645 2292290 1884078 1563877 1041943 1476822 1682935 1586973 1279519 1236126 905740 1272725 1761609 1755998 2170120 1556807 2138075 1956523 803800 1476078 1619268 1740922 1598851 1365738 1717711 2152770 1835934 1732775 1278791 1517588 2136658 1273895 1832324 1396869 1539711 1889520 1417011 2007798 1696868 2009361 1281445 1695149 1745127 Pyridoxal 1286697 7857865 5925444 8802211 1016585 1294226 1444003 8534793 4839794 1517929 1123666 6607285 7259338 9497522 6541459 2038595 6130531 507762 1034403 6080212 1226641 615092 569632 8159294 1201445 4224926 1127391 594959 3730624 1790175 1347808 1155389 3175889 1019644 1076259 1015401 1138278 1223064 461611 913262 1197924 945730 1987577 1636343 1717199 1273671 1171209 1521053 827813 5982959 749876 7393501 909640 1447262 1805484 1195777 661478 1117639 840845 852713 3641494 4880597 1332849 971782 1999916 1105910 646494 4270634 723210 721636 254585 712631 950077 1314580 976322 566313 813020 357170 281010 465040 600714 331326 887083 827285 1324720 7702724 1245886 648347 674433 216909 201976 5679842 908758 1026602 Serine 4637369 4121772 3536112 4516521 2780716 3434284 3181206 3835829 3000901 3651386 3179906 3761359 4258593 4914657 3680042 4039782 7680892 3028704 3488696 3203246 3586468 3568421 2904191 4577377 4947357 4232003 3725228 3654702 3386042 4087269 3174996 3780588 2859703 2991955 3027314 3717697 3994586 3237768 3117410 3572475 3621805 4000755 3050820 3889215 3395600 3598628 3463776 3629052 3482311 3305496 4428494 3284844 3097826 2639861 2517038 3137036 3118553 3146811 3318383 3083645 3193993 3127973 3331437 3440270 3125706 3467337 3717470 2964450 3602098 2941713 2786219 3402663 3436529 3552865 3535819 3394439 3362550 2866651 3194532 3232318 2958894 3302922 2622352 3202399 3809923 3189658 3328196 3409897 3350678 2743732 3480582 2648795 3383268 2997715 Spermine 3472516 97173 4257252 3604341 3185601 2200963 3253031 3353407 3419976 2786015 2705873 2884614 2970436 3589390 3062453 3176189 3454615 2376358 3018999 432957 3111714 2161057 2340746 4064952 1638170 136788 2980611 281062 3351498 3440925 2683985 490838 2767737 2242305 3172511 528986 465204 417089 190477 124326 3244104 2400362 3266070 3270549 3052575 2443982 408444 2757076 3718605 3445267 3909339 373946 3403618 2843672 2537454 270539 2883808 3052115 17273030 269585 4032432 2391899 2760986 3350271 296087 3022923 4087849 3146101 3556061 3090858 1859297 3831003 3268070 3014250 2949341 503039 2866965 2739331 2873935 3233348 9338184 3090598 2996379 186963 11720293 4074595 2864826 2785246 307263 3032032 2736045 2443671 3366607 2168656 Taurine 123846208 109243336 131550861 170246194 104152331 147743700 138757924 121606958 132619389 134175964 138107514 94361515 135168964 129084648 108148527 121236084 156741265 120571285 129910878 97141816 117851215 148415766 107437955 146736490 143402178 113342624 89922630 126010753 128686888 165589399 119999162 114100513 107365232 124970327 142308434 154496765 135197933 129819980 143936921 133964780 125946211 113376699 134275237 150947759 121025720 136053139 139599051 125949648 152083119 99636538 112095298 117799587 116516430 113162801 96473067 103401131 99440066 111839282 109673074 111095711 112735533 100929895 123629977 137180967 118065942 142690243 134677155 118644799 134788505 103638131 95956170 135159204 121758877 119512886 122227931 149045583 130097520 117964926 118906290 117386107 121673561 133235069 95909062 107217076 138656446 124837289 130691981 124553824 135118668 120642979 133847302 102762495 135052328 90552446 Threonic acid 4137073 1733260 1778551 3444836 3344738 5598988 3379174 2030560 2919320 3664951 4886241 2617015 2149544 1823723 2463306 2589434 2177374 4552923 3811977 2485372 3646404 6246157 3282630 3698018 1838939 1839437 1022903 1245240 2369095 3582140 2338057 2145182 992703 3206924 4089211 2227494 2308792 2909040 1852726 2129249 2293086 4536276 3198563 3948666 5229199 5071608 3301075 2075966 1492893 1936951 2941159 2825114 2799592 2795459 2029801 2627308 1996347 2275707 2750992 2820924 1575930 5735108 2120286 2715341 1768698 2817166 2487255 1634497 3326862 1933345 1477690 2497551 2016253 1222761 2629154 2262471 3736525 3867620 1686897 2963287 2077135 2976171 1488373 827192 2956519 793748 2134451 1936757 2122409 2244522 3630845 597928 2445501 3159891 Trigonelline 2343684 2331063 2618132 2527224 1685273 1982454 2246828 1528751 2091313 1784614 1915723 1266410 1440938 1874729 1509126 1437616 2138016 1543643 2304788 1582714 1531670 2007437 1486409 2311188 2421520 2245217 1588076 2172239 1876278 2553722 1695647 2191951 1410690 1411606 1763086 1792719 1531652 1405746 1690411 1388461 1520388 6919741 1567066 1705131 1460642 1538380 1187392 1601261 1322344 1318046 984161 1487191 1639173 1171008 1220933 1430287 1154562 1586728 1561984 1517582 1048273 1498824 1566792 1723737 1617292 1811249 1667110 1480176 1774670 1241015 1112044 1593416 1821329 1396610 1280264 1427475 1180017 1156475 1249447 1462780 1503965 2084863 1152644 1483876 1354056 1405255 1453042 1569977 1703668 1569004 1731962 1429570 1545117 1341816 Tryptophan 408885 312720 272232 287133 149609 205527 148841 243226 148398 146363 162466 241399 304591 343458 218961 295660 408766 120724 164482 191899 238204 141454 118940 252036 367836 308362 239796 262743 223135 201266 153996 259420 217743 127419 134935 215988 333155 178443 200525 212028 217350 189852 169124 257315 216200 170533 167588 212366 204339 232794 218751 242074 199661 113261 131278 212732 205285 159741 202555 214666 246653 204381 250907 228557 218534 205460 210746 198777 260525 181817 120004 219281 265153 275587 207822 282985 229504 168459 170134 238351 188577 159832 146757 212103 249550 164355 210878 214590 222241 185499 174514 148818 235207 175831 Tyrosine 12825804 10576010 7568558 11753517 5381400 7387221 5084620 9151866 5420620 6670193 6032140 8379837 9897494 13130957 10381936 12111680 14820675 5184622 5864264 7477776 8318686 5851026 4935874 9717842 13595950 10496892 8448031 9751727 6894784 7600161 5565340 10028754 5976585 5643607 6972944 8470836 10736661 7867579 9381467 8940754 9062479 7223426 6868133 9779719 8693104 8621739 7741204 7348686 7431866 8205356 9775320 8985255 7204080 4955030 5289882 8691773 8364171 7157849 8690694 8949694 9493960 6786763 9264064 8608342 8090004 8334648 7417377 7086775 9132817 6507097 5202210 8396709 9529407 9375075 9440390 9597169 7017424 5876443 5734184 7725635 6767147 5726724 4394716 6478625 9951347 5929231 7352097 7728443 8226833 6693717 6937997 5658048 9659282 5904392 Uracil 1740461 2153760 516031 2783391 292493 515380 282673 2145760 439403 376186 506938 1504960 2616586 2697063 1909913 2676382 2851933 418007 471230 2175974 1912313 740820 420894 2296462 2029744 777783 1039718 1773567 482944 523416 245030 1540233 261548 348108 487820 938005 1877856 504004 888811 1288113 1757880 459976 383922 1097243 153473 545393 490122 540097 1424003 1822149 1426871 2282685 1032270 321381 311235 1876524 1774684 375182 545043 1734884 1860597 105015 1936123 1881150 1836321 593885 534165 648447 2118616 294830 307132 1325005 1001669 1581480 848253 1069867 189031 453856 419764 536682 662028 465246 359138 1222731 1222121 382624 778901 1094850 1058183 504242 453603 354535 1605988 414813 Uridine 8654497 3212874 9654135 2065665 14171164 7367806 4975894 2610348 8346853 5751858 6350266 4132611 5036086 2696887 1965332 3328031 3051193 6909304 7360184 2218986 3584725 7065445 7113434 5553338 7898011 9916181 6772030 4385636 8807243 7647634 4828904 9986228 9091014 7123066 7871302 13724236 6025169 16840481 17365721 7040953 6239318 5524626 7037113 16242831 20995214 7058278 7817722 23009903 4195049 1526627 6442628 2887259 7528137 12656280 12264175 2862374 3815508 13390437 15541416 4426902 2666752 14796147 4891103 3439814 2303796 20349136 17298650 9856773 3849141 14690183 9280762 9872726 14950842 8231356 17096407 15742919 27670699 6297070 9138657 15217272 13434872 7007278 9699732 5959786 9276507 9542619 8884365 6768703 8598747 11496740 9034522 8024120 5847594 11602361 Urocanic acid 1289628 724912 1037067 1081024 827382 1102958 703219 784597 1109382 1206753 1052907 762203 1298756 833050 1277945 1135628 93303324 1553427 737132 1151195 2173838 944610 826622 10728035 1429111 2142792 868084 999285 1450342 452909 446186 662281 675137 535231 619951 530449 752134 1496115 1090411 588634 893934 31481369 483020 802344 1065395 759146 601501 1816421 756391 1414528 22827877 886565 805490 932395 535596 2779965 2786175 670404 909717 3298380 1000016 2346412 720217 1240172 483652 1158808 4673229 668979 549023 597462 527906 1192399 1494534 4357392 530722 1042855 6120114 571595 465728 1200801 928621 1501659 1082107 877736 1137137 879012 624255 2938894 522223 516423 551519 602641 633757 1096259 Xanthine 6652701 10030780 2660035 11395728 1735615 1729468 1327360 8383414 1931349 1417409 1923090 5182294 10822141 9879921 7822059 9823406 11766800 1641732 2205318 6457244 6928140 2299584 1898532 7445723 7987073 5188413 4610470 8281270 2405845 2285332 1667841 5538102 1990533 1361361 1674024 5410768 6789292 4231541 4715829 5501342 6832996 1417593 2107352 5944308 2592824 1715152 1816184 4863937 6184228 7547162 4705989 8512972 4208787 1549214 2524863 5615704 4945512 1721028 2581474 5326680 9015217 2083428 7441944 8059375 8064696 4133825 3330949 3645512 6268583 1930002 1566069 4719499 5334430 6584786 4488367 5281703 3011756 1699626 2139374 3694844 3904601 2183756 1795460 5635626 6049515 2404547 4632326 4581652 5411395 2686295 2453916 2097774 6629795 2055720 2-Oxoglutaric acid 13502 11309 19391 21366 70561 28321 49849 12557 8628 16564 3670 3167 11105 10287 6729 8272 22891 3661 60101 1858 21574 623 44754 9907 29855 8822 15912 26228 37982 31748 206 20700 19754 3996 50481 34701 42458 99072 41542 18821 33967 45602 42231 50874 121597 35124 9047 37093 20224 14010 27639 24411 36427 68243 56296 40744 9974 73443 44712 100559 75752 86124 21170 72505 36748 40554 19895 13015 26389 63050 82515 31630 55513 9389 46558 85443 139590 47704 96877 91063 43385 40319 80841 32477 76962 35604 60868 39896 50461 64979 69179 17925 44812 56758 3-Methylhistidine 550766 536942 565864 672019 592207 1348440 965000 597460 927680 1251833 902221 1317382 1120735 1361229 1182541 1220375 598495 631710 686170 359560 434491 575085 629496 530190 533392 361171 478698 528679 535046 473155 607538 512137 1042241 960990 1052498 990941 789074 649134 698588 714069 1128597 2114074 1393016 1426552 1503558 1121076 1127292 590805 425396 474910 502276 438642 412592 664237 592696 312285 458721 495686 371147 318204 354175 454760 412103 787452 690067 735502 743772 591942 600309 734712 529335 1053020 932342 1083327 961178 1033778 1103769 1393944 916056 346035 283547 427992 331596 396284 372483 392802 329340 263443 274438 381591 462474 331940 373722 387508 4-Guanidinobutyric acid 4817017 4291994 4751754 4424856 3260186 6913827 4202656 3072272 4115807 6045462 4732286 2679300 3683764 3570135 2928137 3291372 4556445 4398108 5552264 3127445 3340954 6807685 4811221 4236764 5262036 4409030 3280002 3780609 4238742 7151994 4346290 4279920 3092625 5435178 5605063 4580185 4434196 4254328 4888792 3809861 3622258 5555725 4738511 4248248 3583967 8641379 5525280 3974962 15619 2923162 3349449 3184497 3221925 3288829 2985092 2965894 3199406 3721692 3757368 3530684 3505091 3140453 4080931 3550424 3178415 4431831 3559976 3505523 3596849 2980275 2701228 3646723 3425795 3132739 3396112 5249595 3970427 3841372 3250113 4161521 3508322 4916456 2847474 3392239 4040498 3601973 3559010 3450774 3933321 3705263 4705433 3096737 3802701 3662887 7-Methylguanine 177274 172776 160228 189276 132939 211773 151603 150453 134350 152211 136204 101567 178722 144227 124639 156975 194411 136005 184104 144579 155851 186522 150931 169484 202220 152088 134361 166747 153767 195191 114912 148394 126666 156105 219183 164457 182291 179623 189838 153699 152889 220875 162394 203330 112126 198632 173221 161634 111377 131595 146250 156702 133746 142080 135732 126846 147976 137084 155829 141744 161538 105239 164724 156820 135274 198109 168440 168963 184777 139257 113260 164437 157535 155535 160813 180721 113097 106050 124680 156776 148354 135038 114922 139211 159190 153297 143287 147922 176106 142619 166369 118727 185528 112584 Acetylcholine 32303 32892 53807 26426 566649 1907645 1952941 33876 418625 2249272 2608619 25697 33374 30776 26663 32716 62516 3262405 3215476 36726 30245 2315917 2231011 48608 43696 50187 58648 47809 302850 327679 202724 90304 539703 845685 1443844 70048 38836 56268 143519 41877 47867 1033023 767507 77247 28374 706211 979293 170039 63547 34588 55041 27696 71873 1788876 1088846 41913 50866 3094074 919343 23152 40369 26975 59095 26693 42135 350835 478328 98327 42429 1360291 2855777 89010 112791 113623 90814 73607 862217 1626671 1775868 78302 150422 1361488 1155650 83177 53664 336017 91427 94096 84951 1250481 1427236 258436 135348 1086657 Acetylhistidine 52765 54651 50032 52110 88684 77817 53039 42784 62049 81586 64368 42365 68113 48378 47706 69409 67003 65049 64014 43399 47693 76309 60337 40755 137399 72567 45100 55338 79614 69156 60256 52657 32094 59646 66827 49238 69208 51371 83929 45753 47871 102219 64284 56755 46142 72500 190952 69591 1184898 67080 69139 60566 57018 36048 70560 52924 57452 76248 60327 62504 1302651 53163 49094 771554 51986 71652 58533 153296 76726 113504 38746 219896 63268 347383 59165 86056 65542 54716 56677 76689 55449 321656 50217 38028 97810 44567 43083 57003 56204 75143 51898 35744 58245 58257 Adenine 20261598 16487796 23391984 32063076 35777843 56861470 29639217 27762453 46217095 49574848 48506052 27641523 35326874 36200439 20672627 15905071 30823227 52116099 48572717 28598376 26665314 73199433 53973136 40031637 28445037 21960713 14457130 15744813 33887938 37598887 33978877 21323513 32896948 35580190 38815691 28892238 32597145 34646166 26230896 22526745 20147364 37697888 30589489 26047667 27970828 61210811 53591481 36698619 19130982 28958166 40561587 35694113 36393078 41746220 44942566 22602381 24036636 34457586 37995484 28662272 15134680 49510123 27651497 12180876 14654660 40403125 38752407 44010546 33242581 40253997 40661584 29633807 28783652 25782785 37364227 31532882 47654215 41915998 43093604 43110702 36994134 51894776 39238565 28100917 43338306 38850986 32763795 26217292 30732401 48525155 51541497 35226675 26396699 41604146 Alanine 7792539 5664992 4623168 7565313 4512411 4597405 3815905 6281422 3939598 4391737 4113559 4552671 6235396 6922200 5329088 8142846 8415306 3702265 4886182 6042373 7951330 4490300 3747439 8916732 7309955 5338142 5090991 7087254 4128895 4993280 3508649 6424037 3548204 3217509 3854040 8654111 8280864 8373586 6839401 7265059 8136497 3595788 4313403 8975275 4922602 5040833 4403879 6898652 10018779 5718295 9631902 5334224 9284849 4483415 4839836 6960765 8243232 4247599 6004892 7804768 6740079 4215091 7508306 8708382 7949904 8380764 7006136 5012209 9591533 4780635 3308848 9492060 9619177 8348544 8238520 11077111 6650964 3668767 4230600 8810230 7906294 4887959 3619147 6333651 8581247 4356101 7690071 7681536 7940837 3938680 4273122 3324203 8976428 3107524 Aldopentose 4485734 1531554 2097824 2426996 10616368 25365230 19928998 1650977 10228897 30268499 25089693 2714944 2790317 2284875 2293207 2883500 2287734 24377669 25851712 3237692 3804600 35258283 25192331 5790483 2577024 2032710 1998487 2141947 9035983 24781689 14710781 2576580 4295520 22410787 30784815 3177626 4062439 4950690 3939605 3552429 3785111 34341636 23765724 6118735 5652678 36106046 23984553 7227313 1587632 1687217 3318333 2639679 3044877 6766965 5986561 2230692 2343766 8235100 6791693 2194750 1599732 4467921 1955358 2100755 1547599 5943898 6044167 3359775 2490319 6834179 7362655 3229921 2903143 2603602 3606668 3575006 7260442 17864758 6000626 3987555 3539396 15438100 4878369 2109671 3880834 2822937 2928404 2439868 2370288 7914489 11502738 2249814 2315176 11557653 Asparagine 589638 563869 384421 486091 281434 304171 274149 400069 235600 338856 332477 400563 435180 527840 429513 487432 575396 306472 352504 295243 415705 324152 275331 421222 572290 458187 398749 421051 341050 440725 263111 480942 216677 262450 283145 358736 423450 403355 333745 410415 380376 309661 304665 447160 439046 373329 317731 353365 343946 398910 376289 402168 367545 213074 199937 383371 317326 262677 349406 333784 416099 391020 388722 425436 356024 328476 287459 310765 372627 231302 211474 345807 405733 388875 384898 340437 418822 271172 242995 339850 264302 295804 219014 325616 375814 291778 364462 352096 378957 259562 286894 217785 384784 256834 Aspartic acid 48030520 45348144 29595769 61727616 25029901 16217241 15454835 42926111 28183595 12360831 15714588 36285210 47135037 41890881 35163939 41716182 56660308 21575083 23832116 38541466 43461693 25696514 27103606 50731575 55448835 46183383 37064281 37186140 19841955 22241371 15300259 44063150 21117319 16675104 22076998 47820633 46250887 42116386 47933432 41477018 44396417 17237359 16747141 50411890 14380436 15758364 16856215 41396132 24276696 35823108 29378225 36356683 34570294 27102633 32057546 23126125 32191093 22384724 29631846 36497223 40181050 11273883 40524347 37655803 35788448 47461472 35987913 33457732 34217763 27451253 15054488 39133996 34227261 35260298 32412044 34638022 14200032 16630009 16811625 28024917 31696063 16914036 17911860 33765828 34765261 26151817 34821843 35900551 46072374 22769750 18076725 25885063 44389696 20540860 Benzaldehyde 734085 851250 938543 1348693 1017953 1175762 1032849 876775 911793 956614 795132 807973 873468 1094046 1050484 1248366 1301473 1163134 1146314 1401420 1131318 968745 867877 851417 996753 1094117 1057371 1301416 1358069 1280172 1248918 1325414 1152307 1214619 1103017 759381 880066 1282245 1212847 1306406 1245863 1570072 1390722 1976113 1285036 1104948 1003939 834613 911487 1069716 1583380 1452730 1482471 1484535 1349928 1648220 1678249 1282558 1131787 948026 900274 1199508 1090079 1390722 1587578 1233641 1700008 1448961 1452977 1298965 1248874 746749 763242 978563 1119665 1058419 1024161 930181 1164854 1097219 1236530 1214148 864320 680177 725950 735856 835281 831137 760499 950307 1159604 1005508 967715 918670 Betaine 35990822 28775275 38836050 32677033 45298410 50420711 51271417 33327076 47961323 51650570 45875930 28772966 32944506 25463282 24498340 27426341 36191834 46933711 48747770 27638360 31550192 59424965 42004206 31480903 33752901 35275560 24666925 36520609 39746766 45489586 38417962 25809984 43092060 58451395 52673701 55532693 37861913 43029022 53711689 39298199 35892526 71037184 55608511 40003319 26083989 63274004 60993599 41379156 31930468 33568572 35871981 38416647 34468995 43141656 41951137 31683208 31025103 49321834 41503149 48541064 35598418 25403309 38028686 34576536 36434998 48980584 42297069 36634194 32665626 40064299 38151341 40989508 32573029 37252953 37695473 39848377 31686373 48827919 45038822 40921124 43208277 48426833 47868684 41733711 32570837 38019307 34369007 37453681 42077506 40800006 61068649 38786177 46835008 36733362 Butyrylcarnitine 73054 87217 65809 338624 275951 327644 385706 351782 369990 222169 134257 125746 191831 329848 156528 173713 476341 514904 761487 602682 450759 649307 628570 921418 90659 76677 80818 246496 161322 221607 358488 81519 320131 251553 227525 317809 280485 250119 185064 190986 197542 181936 180722 152599 220619 169267 176163 334750 258088 216086 179177 215347 266620 360130 391029 145868 146487 166232 124454 137011 168712 367947 340222 323292 322110 573847 292785 479799 328182 235633 336490 385109 208904 174619 148179 156647 623102 291980 215253 115143 164881 184974 155636 170470 130766 159927 359923 219852 715979 346936 242325 300373 398488 252165 CDP-choline 59051 43153 484024 99801 92091 837967 688671 53128 456904 754653 310262 11510 156831 7872 40647 117343 101619 351796 716911 27690 58365 705526 559561 18968 202284 107281 55227 225002 512565 826959 503816 92429 455294 506118 593500 264193 199426 81009 327476 147398 133512 648199 676013 131335 57996 759748 597645 168249 253187 75240 162393 88704 153485 101689 156361 99308 118997 151170 121329 104110 171374 189023 150437 253745 185725 257047 369774 375739 266873 159869 191288 210567 181779 239963 151830 285249 198089 256934 221186 94762 229877 427953 153998 212040 123520 549534 238157 294878 336437 245500 164057 536150 310862 106352 CDP-ethanolamine 206466 152687 392196 201520 99812 438113 366348 158400 303094 354575 252627 91266 196356 97981 148352 232496 184406 275418 385964 93069 151876 392056 341325 95782 310610 210101 187819 284445 348317 532888 343484 198830 295125 387185 443959 322775 315315 217421 310802 256494 203589 321313 400284 269582 189051 393079 405625 212907 292272 156060 288865 160542 253680 191432 222101 261731 215366 216678 213317 201359 308338 203693 274556 374725 303188 288286 261878 242404 353214 199552 202497 298319 308607 252438 212823 336416 165578 228512 222397 183095 257648 290977 174598 206340 302157 319697 315791 356360 425585 244131 235613 304608 451822 174260 cis-Aconitic acid 872001 1589431 3645325 3802846 157238 427 985792 1964518 1696027 2007 14830 701608 1991023 1826688 1319133 1197126 2895047 21042 751171 679169 1065574 13917 40292 1308085 2730569 1434201 1034917 2187461 1937015 507540 151487 1541009 1929859 6756 464708 2311577 1666808 1042936 1877307 1802082 1447449 106584 751778 1696395 787357 16041 23225 1468800 2238967 1871507 1580126 2192139 1557410 892028 953252 1527278 1013592 714778 742446 1467952 2182264 537795 2216724 2547210 2402598 1848547 1001001 1701920 2331212 670808 569252 1723381 1532368 1402548 1328849 2074999 1183620 310615 1345499 1029308 2024528 798044 761723 1651045 2543524 3586528 2560365 2299710 2944290 922838 635045 2064872 3117107 228828 CMP 167929 185226 290037 221000 309686 368228 390426 143250 175527 346610 740655 108850 173251 152974 150586 149838 194453 619606 394128 113154 146291 396580 280030 156156 200971 135244 143500 137784 275026 456856 437435 150444 169509 334722 438033 162887 157586 164599 234120 145140 143469 402809 387415 181567 183499 384400 380839 167693 114518 134155 123142 149658 125487 139699 130384 132233 104053 190343 140043 136288 150981 126436 134283 143009 125210 174817 140845 203258 137633 137579 288696 133519 149882 126628 140832 154746 164986 547759 390539 113414 140087 598034 155566 111967 152032 229159 143922 132788 143525 493876 602009 195679 149836 315158 Creatinine 454687 330243 370504 450447 329955 516679 366190 362473 361082 401093 416951 290925 421504 331290 282781 383601 482488 373612 404734 319275 370709 494890 351062 415202 492336 354472 294859 366636 355334 537753 322196 382611 312999 414555 494316 481795 433952 515031 479583 424252 385111 372763 388462 560015 370776 414066 413862 433746 306805 309834 469143 378753 415546 362127 325580 323335 342383 315967 365118 349947 353214 260168 403225 411294 347973 501928 437344 369118 497322 329549 302778 487123 443842 386106 473088 497016 305609 322916 328453 485189 414709 358089 292090 295712 506611 368039 400098 404630 462440 345020 370450 306976 500978 313748 Cysteine 28095 37748 32335 43776 10651 3324 11598 28158 16756 3267 1534 20720 39496 46270 27445 35710 54392 3797 10264 27593 24513 1057 6789 34261 55550 47984 32617 34723 19570 34857 6146 50447 30370 5952 12148 37701 39047 32920 38168 28842 32345 2356 19650 35433 14301 3810 2238 34909 28019 40717 40045 30748 50959 24979 21090 36133 44807 27920 46956 49643 44685 1735 34503 21090 29130 37454 40120 41015 36264 28821 15597 48841 59446 45323 40955 48620 23029 13886 48624 53972 56187 18368 33708 44642 46663 86449 34330 39184 35487 30692 27999 64730 49227 20869 Cystine 531803 512256 95636 757642 37 1257 361 586953 5998 1501 1590 434482 411695 469309 329584 279829 425454 74 12133 453603 407126 3619 260 582043 534231 647825 398811 257275 88846 2089 1795 338321 6932 1422 6637 390247 290824 257266 19049 211504 338145 39363 4739 419120 265965 39102 3694 122957 33422 505643 398145 374867 437036 223330 122796 402705 242758 191917 355918 673721 213752 304579 265079 235184 253066 176479 169908 3932 306335 118754 22279 332097 318591 198602 271373 64170 1066 146139 103148 301632 138734 53 190584 339825 348801 67239 212844 153774 193648 126940 210822 8597 280978 360021 Cytosine 466298 433462 501015 560737 418971 618005 534726 438106 454412 593890 487866 372492 472489 482461 407177 453062 478272 529808 593115 410167 426293 727080 636480 490142 452714 426246 400944 454083 501007 706140 565671 429256 510733 579710 569151 487053 475475 471125 480898 456967 459559 620982 654597 477846 471390 604060 605677 469207 426485 432137 471890 464216 452693 424787 404916 420455 397622 447839 426837 444532 429548 394717 403344 456539 471140 480699 565370 438741 474633 438079 411122 487791 456002 424376 463945 483362 403798 410760 458769 456317 448716 478912 387032 429873 482167 462122 458768 466964 454104 419517 474560 454263 488855 411454 Dihydroxyacetone-phosphate 3222444 4886565 1980778 6668792 650243 2621706 3388877 4083200 925748 2680780 3601291 2447991 8953841 2812308 4419324 3715597 5780460 3095843 3169825 1290677 2192017 2904093 3069620 1295461 5867214 2043558 1673693 6647132 1552417 4464654 3852994 1761493 1148929 3992589 3342813 2866108 3705446 1890342 2625727 4850499 4968002 2637120 3444514 4759379 1360914 2614941 4112280 1477802 1723903 3932900 1575558 6105537 1267640 701478 1272252 3310429 1831494 1174939 1504859 2674439 7517510 320878 5156073 5319965 5374647 1956145 1558601 1297671 3091087 1563998 1761991 1060072 2143245 3663506 2198086 1476022 76111 2248541 1618190 291505 1035667 2817219 1191720 3398442 3628666 2232619 2892585 3273393 4173929 2917775 2205506 1890051 4004258 1400944 Dulcitol/Mannitol/Sorbitol 154558 154824 128756 175291 111878 148266 155045 167236 141240 137966 154980 133938 166644 155253 145525 143744 184791 132857 164745 123092 124833 160864 124129 177724 168356 139658 130368 143795 140448 187122 112583 145256 113866 137974 145012 153372 141640 164791 161531 135166 163791 164926 142534 202370 213567 194184 160492 170505 159871 128071 141155 145861 132005 117246 131746 138441 128388 122772 157232 117564 138502 183933 140136 173742 150482 191288 134928 127251 171472 124822 113110 152258 147705 138094 155100 169052 181882 134493 140356 131184 160292 143275 103199 125142 137519 137934 130550 123934 128368 124797 146028 106900 152147 113343 Ethylmalonic acid/Glutaric acid 285561 320927 311436 265702 250876 272521 210119 265072 313620 203864 232109 305729 236947 239858 280272 252505 283020 250405 187620 258307 315496 208320 186972 275405 249200 259349 227178 204974 271660 215821 161497 237729 253175 171553 188705 269657 248675 307524 295418 232096 243449 303004 198787 337017 347100 222017 206747 278498 186585 220811 285264 226765 270440 268559 211599 251455 259119 207624 219090 282615 215851 378018 239951 266164 262781 270018 250056 225643 246329 219994 227948 258233 218954 238886 250859 195240 309639 270201 181040 235988 228076 199354 185162 206725 220433 197008 241745 191097 209137 209737 219780 188704 247577 191391 Fumaric acid 216963 183446 290786 254506 273472 263275 282359 191827 263822 249761 240334 99258 242607 200869 138613 279685 256666 360633 407217 193527 253458 242694 317935 250024 288133 169359 205249 233289 358637 506699 419204 212632 352328 250610 333698 328009 271204 277066 364525 206613 227833 244884 350393 248096 121324 315540 358802 498440 238649 202899 295444 202762 297052 299735 366483 265579 260979 296841 304390 325550 321583 69510 306845 381845 344192 540452 406847 231717 386714 335986 271741 273271 281239 264903 278362 268632 202156 258490 336859 214915 221136 321782 269477 204188 329027 459138 260603 254242 328198 375866 273171 346753 359037 226401 Galactonic acid/Gluconic acid 141639 150029 125869 238580 70345 109530 151965 130620 103649 100953 113733 186317 152100 300569 104451 110331 245895 75473 122243 76078 83939 101400 55953 212044 224921 166280 83941 114735 93545 235648 116094 116189 110872 95013 108491 191108 177348 129096 174878 178219 198649 235822 124757 274270 710112 169829 120611 216815 108000 114203 101027 122244 135062 97913 74588 98039 65077 125684 121818 118059 102254 148678 101815 126114 95730 146725 95493 82756 103602 84665 51137 92921 124575 77508 120526 95723 63184 60232 94745 161621 112395 99560 53492 95691 173834 99045 124624 92966 101833 80203 120317 49285 149991 73961 Glycine 1605059 1649712 1230714 2038377 977601 879743 945889 1576681 1041432 1000166 1118412 1502271 1580323 1861167 1372206 1407113 2255162 1038672 1074809 1503384 1559365 1030486 769617 2099351 1670979 1617825 1654494 1376986 1181034 1084530 857423 1449330 1025341 896517 879505 1572377 1598904 1429332 1224788 1386598 1498586 940289 980966 1800805 1433986 997019 921858 1655101 1135202 1386097 1541335 1368223 1512645 1378534 1185068 1281723 1226942 1482297 1613703 1391760 1312818 1065709 1268843 1291459 1332745 1486243 1510120 1176940 1369508 1263781 1217239 1574993 1565997 1502040 1361205 1309349 1280776 1197040 1647526 1481639 1412674 1109586 1502120 1541522 1553662 1182118 1384412 1245078 1363524 1230757 1568380 942424 1365718 1305240 GMP 42634 58653 127402 50320 110980 2955896 3549397 42146 80838 3261019 2956517 27379 34838 47548 39352 41111 44855 3003356 2503369 46386 37638 2247395 2137711 33515 41431 24973 22691 23279 118129 4476340 3213730 33347 52360 3282593 3944778 31268 22033 23949 39487 18536 25558 3352065 3565125 33818 29529 3446462 3287629 25467 43293 40815 55589 49818 35240 29126 26589 55339 45789 35230 33049 46775 64776 41302 47022 41444 42873 40464 42482 100931 43934 36719 248620 46017 33426 30618 37565 32335 34080 2029758 748953 19933 35560 2486495 28414 28245 28969 116012 24551 31043 29545 1143014 1464956 117595 29870 366388 Guanidoacetic acid 1012257 832686 996071 784960 1915141 1211745 1264892 703686 671144 1452771 1253247 340714 675288 364878 421437 546715 714018 1026985 1387848 515610 689657 1926675 1178927 677018 819232 589391 460600 717078 882405 1651549 1768746 616831 646520 1889166 1378063 701552 613126 671082 1390076 623271 475006 944350 1025990 648685 723698 1414549 1916096 921985 570021 465059 546862 611650 550208 554589 514450 617363 573750 872287 960724 673047 770804 715875 858291 785712 652660 929760 947464 1063573 783659 797718 777921 604502 586443 590004 591079 713511 669591 682307 732337 653865 638806 1331592 633713 487890 663768 612834 685129 958305 906031 965952 994350 806170 838981 825802 Guanosine 47488787 5574027 63096031 7231620 51553169 11324350 15330231 19039701 48459830 10962699 13762182 34375397 4882255 7058101 17014852 11308303 4081131 16347754 16167587 29899761 31646270 12047107 13248212 35927462 40661776 44776493 45025924 24363517 55054103 19876713 22374096 50585148 52285066 12187870 13909152 50465923 39757800 51155740 60675893 44878510 35842586 12343041 22583532 53831649 67999275 11603687 15828659 60658669 32434927 15475753 46861685 19810436 48993549 57991666 50674392 41036755 38607856 58576481 57996263 44721162 13815794 52334571 28008381 23737371 11254706 57193014 53675064 49437978 41947275 55857921 43430305 51777367 47413904 39258253 53011150 50676206 62001759 20902544 39745368 47569425 50079395 20637732 51425865 31928096 41307705 57007025 43929052 45815848 45480902 39447739 36160238 51031997 41263850 49288374 Hexose 44356371 38552618 41038964 56418896 33076940 37700293 34886933 33580774 31134879 32297030 37267648 32832461 45476824 37348843 36155311 29903282 51221888 34457863 41952296 32658126 40254248 36367422 30096987 44041252 49873987 35739801 29820247 37747584 37327164 47757479 32306344 40942888 30318242 34144770 39585721 45570182 41367381 41843024 48904301 43906554 42747092 33572769 38976788 48647285 47051086 41145814 39054512 43569673 38656884 34966811 40543250 28752031 39322204 31556584 27624802 40815880 24824420 36358518 34492348 35466258 32130047 34457239 41023642 45615143 42017523 43149014 35306716 36755672 44795739 31455171 25241227 44226214 39772149 33386677 32032420 34813266 41555879 31925594 31833819 34178733 36378733 36574780 26548837 31229621 42342077 35673933 40747352 40278742 46722232 34869257 34288160 22985084 42460292 27608537 Homoarginine 536434 381098 172638 396971 62724 181434 70614 244461 108657 158807 183727 331996 507080 830224 337662 588344 508925 187885 309189 174833 206583 217816 319155 278080 487755 309875 175898 283424 187963 274342 153735 336478 185205 176824 263384 183228 370530 145656 170726 239830 221225 274603 138790 231391 87360 301024 238383 209282 232077 314776 245549 211688 163230 73409 89037 151022 236073 201484 214103 175754 313735 64480 466929 205397 207860 139566 183176 117450 199974 149295 118336 117007 174763 225460 212383 237385 65209 164208 135646 254225 218718 206197 142608 267852 286461 172808 127287 157109 104870 126560 160934 98395 131668 155747 Hydroxyphenyllactic acid 32920320 78136883 197640002 53082534 242670208 487043323 623067444 53520648 160845985 411895146 249226462 17353093 35278871 67324716 77566611 30074927 53328461 423584306 430706115 25794641 37969658 206538620 353402528 53431326 109802318 82837459 164327829 121342466 227383925 475952669 388995330 180600179 410501369 415700127 433446624 286392700 110999168 196300028 280125420 176293183 178217606 349995384 393274758 201077546 107929735 312512452 356393899 328512342 104059478 31103844 94185725 20202785 106450267 271770460 220989895 73456810 102253932 319818020 152996714 10673200 46424171 86801396 96185301 64841158 76368748 311389628 212646021 249608288 56748338 284953013 283100286 175334090 130728127 109086644 150562102 144422653 4630953 294516017 245852419 49493016 193423107 299344248 181648609 291924508 107846228 343230299 244167222 229997455 306057770 185468600 250247484 353315304 238246352 108499773 Imidazole 4996104 4623750 3839567 7070487 4169561 3782326 2820878 4298644 5487257 4697271 4852400 7919323 4873938 4362074 5019463 4964755 4813191 3404885 3429389 3657075 5302192 6876167 4575762 5427294 5115505 5573581 3013494 4385384 4121063 3500107 2149756 4366399 3309362 3701689 5843082 7662741 6114167 3850964 5180302 5249933 4521105 5107502 3762631 6386106 11001379 6572961 5018797 6668722 2662585 2966474 2316605 3033119 2931606 2470612 2990101 3846113 3581100 4251256 4930431 6223862 3155979 6235872 3283288 3889524 2719831 2442244 3286416 4324879 4991478 4204397 4265372 4902699 2946937 2859735 2584604 3039117 5796211 5948973 2466864 4592025 4674457 5300177 4176657 5126983 3719372 2879569 3753056 3622051 4577991 2780059 4932285 4427240 5408510 6128675 Indole-3-carboxyaldehyde 3009243 1804469 3207977 2111494 2184588 9521088 4785860 1771166 3207265 8433094 4960347 2150680 1481249 1484552 1656691 1544051 989835 4944676 5157892 1733665 1938507 6519600 5436182 2050908 1616810 2125527 1749292 1448713 3542925 5918190 3316696 1616084 2027931 7127817 5498519 1918114 1765877 2291468 1476104 1782068 1716586 6295207 5133207 2309074 2751739 10082770 5483517 1838838 1326160 1710480 2279305 2224419 2357041 2599169 2175132 2082551 1687390 2113387 2206419 2016811 1696283 3639057 1733106 2013880 1803625 2365989 2027369 1493162 1995464 2454555 2009499 1975390 1977013 1606022 2296939 1834984 2324384 3287532 1766861 2112216 1675897 2503674 2014197 1199238 1918848 1659646 1717950 1624668 1705033 2535454 2845338 1329253 1595480 2265050 Isocitric acid 10388297 18184801 33805385 27651261 2145950 423723 8648301 15228942 13442535 439859 386684 8399892 14941410 16136329 15994823 15096417 25142705 460046 8225134 10423300 14625187 380817 645666 9535960 21644108 13716033 13227702 26422815 22077501 4357510 1844211 14572013 16938100 351957 5868278 22810630 14073247 10184665 16856107 16802220 16988145 1607434 6578032 18675351 11623722 446774 404980 16052263 23453325 16816574 15127271 22246838 17067881 10914777 12189366 18492928 13125205 8853608 8671089 17401838 16041025 9149804 18993344 25799721 24145913 19370486 12741159 20141411 21373197 12444674 4605004 15077915 20039921 19533653 14520215 18877463 14266578 5059183 9591094 9632505 21919851 6998531 13060238 21116325 24349106 22928465 29966831 24443082 28044147 10482887 7648234 22444135 26855046 4057062 Isoleucine 10973950 8645467 5672955 7511322 3062101 3117549 2271183 6350529 2770977 2877932 3545309 6623190 7393095 8566187 6462868 7634175 10774315 2652287 3001203 5426713 6219038 3573859 2423487 6761940 8853906 7394871 5116964 5972948 3929845 4134991 2729404 6479420 2597465 3652637 4273905 5290001 6948547 4789442 4892206 6360977 6095578 4259882 3284381 6312442 6242983 4404241 3833155 3959515 5255651 5405857 6650738 6169924 4974246 2470915 2494725 5570301 5100531 3175405 4327558 5365792 5746470 5406926 5498968 5111320 4706399 3665884 3602940 3854376 5727760 2933799 2198618 4533258 5665237 5663923 5358002 4855483 4640620 3214523 2765675 5620781 4072774 3401078 2575044 4121661 6231973 2877729 4464957 4284666 4437282 3025585 3616046 2256668 5105414 3146560 Leucine 21311582 17006994 11433595 14139404 6102021 4904163 4416680 12168043 5474236 5671349 6345495 11944546 13986086 18276634 12033308 14216255 17890322 4761362 5649358 9605206 11033174 6029539 4492285 12825970 17977838 15183064 11191817 12416466 7901847 8503701 5754000 14024604 4857573 4821566 5808515 9747148 12425857 9240948 9508824 11585004 11475760 5858225 6657756 12147482 10527513 7977032 7353255 8391709 10464802 10706649 11409730 11300742 8992509 4768648 5197245 10205665 9906300 6606457 8706666 9737272 11605324 8180108 10623502 9387530 9131853 7487757 6918611 7311915 9991635 6142478 4594084 8344952 10370023 10828717 10462699 9562102 8022723 5762871 5674162 10626635 8286082 6611174 5099827 8256989 11845657 6196527 8053810 8395662 8558990 5909835 6622028 4581056 9291024 5638704 Lysine 6086559 5947873 3771977 5929374 2350904 2260805 2463762 5215298 2602753 2807667 2396197 4675460 5776611 6510470 4865436 5182155 5486934 1863973 2235598 3849470 4357195 2271918 1816851 5066911 5528090 4566736 3941877 4884648 2592753 3099450 2508848 5053993 2227372 2198560 2736965 4138446 4609295 3591327 3784874 4214131 4915416 2465047 2624689 4669772 3449535 2977149 2778537 3014434 4136460 4075598 3968620 3645504 3473759 1933057 1866248 3373230 3512839 2300715 2699684 3366252 4028224 2529387 4295236 3848802 3878706 3452030 3226354 3278095 3909721 2615236 2202303 3960216 4267376 4281056 4154850 4317409 2740047 2485825 2597600 3116996 3025936 2273394 1904552 3153624 3351391 2232939 3266543 3006621 3191745 2170271 2257991 1900418 3972008 2064626 Methionine sulfoxide 698978 595342 440472 603406 543736 362036 299413 500893 402099 884688 438127 540800 525929 565646 479514 481663 496148 376470 368151 483426 511908 644251 442330 641390 501528 482889 461808 401654 405773 567896 448261 443797 280388 488361 582573 429877 504034 496224 472508 457546 491403 901790 374039 586550 635859 948279 527841 508873 416995 429716 530141 526030 395985 288753 349336 396481 428979 394792 431882 448076 437304 605634 412458 386796 425175 409276 579296 336101 482706 315683 219580 437209 497999 391626 477194 425880 452934 293414 279195 452285 403440 424595 301429 350521 454523 281556 407350 377728 410718 326430 371716 210838 442021 332435 Mucic acid 256638 294043 65486 473068 113623 75695 152244 308100 27210 58182 202698 185457 317144 321892 210238 264305 471391 237942 124047 228281 249177 94836 72526 427894 462463 257612 212950 223446 31100 170485 138012 243587 41658 115292 101750 440762 346085 375745 342442 363854 345802 31581 125404 478133 289759 57392 168885 346052 197599 180944 203616 207172 204980 218077 171125 172844 186440 273240 282161 203489 214114 85203 205445 196938 191946 327077 254593 88198 262927 257404 177230 250087 311952 233349 243793 214901 159466 202614 239547 220919 178211 150885 187884 194510 287397 91912 173665 196354 282235 238992 280259 42498 251385 147940 N-Acetyl-alanine 247116 224220 100771 192000 73245 54840 32266 140999 72254 62132 77946 155385 195509 251558 136621 148326 181984 34497 65824 98287 105320 48977 38567 141954 224497 202747 126617 192261 68039 63669 35863 189047 47791 25742 45747 134399 179192 103886 132298 145695 148626 48576 42490 129997 84542 90400 83828 125741 143999 166720 143951 139997 126615 41991 44534 101355 146899 70829 102044 134216 147884 55853 201693 116815 107751 81044 80635 74632 118581 87785 47444 95357 108127 116761 142486 145345 53220 38884 56254 155956 120853 69831 59598 133057 165993 74542 90164 103914 83291 36688 54216 52901 92116 41213 N-Acetyl-glucosamine 2641947 2808058 1757797 2957402 1651986 861273 522728 2240873 1401362 706891 839935 1810872 2816722 3643703 2379012 2442057 2821292 726563 617489 2308487 2047101 744339 670143 2614067 2742683 2212170 1922284 1514421 1283116 959166 672629 2499090 1133719 727498 688908 1791564 2051375 1712295 1087071 1546927 1884320 828791 800533 2576518 1831173 920469 777189 2388912 1338767 2250261 2065671 2721313 2010414 1633279 1538371 2281285 1877851 1448825 2219473 2253047 2491547 1596556 2180471 2275964 2064618 2212018 2450281 1703786 2065840 1657333 924479 1982487 2231621 1855872 2383901 1583080 1383593 1140453 1229659 1530410 1561455 1035438 1086425 1597116 2224690 1322222 1508236 1339914 1462598 1216721 1408406 1072743 2087471 1534251 N-Acetyl-glutamic acid 324503 271598 364001 317270 236280 352837 288552 243080 284804 282462 280551 202742 269775 243247 210422 240252 302378 277482 335507 232479 265675 350360 238730 307615 360773 301975 223756 251798 296088 408307 293735 297891 246797 284230 350934 290457 311054 291955 357747 274448 260403 287777 310769 300788 233099 355800 321491 335220 268248 259928 271642 282175 271903 260499 237120 248662 236941 259179 307218 284270 294396 219120 288455 266545 233606 316680 265391 275788 287981 254168 207285 258162 249399 229354 270345 288602 221336 213523 241169 296586 272133 328304 226142 251545 292900 303682 275796 263036 320952 282720 316588 226635 312984 267783 N-Acetyl-glycine 163688 43842 142342 55059 198960 1006126 361604 51877 318494 614045 517943 122093 53918 45069 63063 77745 36980 465524 369236 47880 97450 938988 648614 79614 92591 151178 83851 56743 287234 409557 290610 73867 169967 583232 489485 122125 160520 235350 172335 138218 84292 753625 445241 149623 508268 1362510 564927 178877 35211 41940 129999 60327 99480 228222 193890 72897 66170 158109 209878 104924 45333 483242 55566 74688 47239 151654 190524 112750 71125 191589 148260 91059 148276 102647 182191 74184 401271 474720 198734 267826 120023 342005 200801 98692 123318 135178 102833 82863 115404 254457 368845 123096 90154 385613 N-Acetyl-lysine 124036 107299 130417 112207 78886 105394 97564 80991 105671 120033 100735 70673 102917 98143 78570 105427 115273 118092 128617 89160 108234 125287 100351 109826 138060 95661 77621 109830 104462 142354 90896 106292 76527 103559 125161 128731 109352 100276 117182 90228 99343 111554 114256 109342 95733 131041 107453 137810 87679 87226 80753 89576 77928 94138 82668 91609 84584 86928 91516 91759 100471 68285 108798 101618 77377 116780 83859 93345 91574 78848 72038 102743 93114 87256 99831 107762 74016 73847 83643 84507 89238 102303 62786 71798 102945 88112 82073 95864 104230 80933 96452 75414 100054 97971 N-acetyl-methionine 57755 47151 428050 46019 104200 238953 157770 36970 236965 284377 36313 33069 40207 69742 34688 51585 58208 11233 243540 16931 24745 278983 255986 42765 84891 63996 32189 45037 177256 295316 127755 68029 148599 178777 231372 43203 53363 31510 176998 49908 38575 191082 247880 36015 289345 418700 377306 59517 70171 43926 34899 42616 41703 18979 29769 42598 46304 16180 25983 36320 58807 384440 47757 49378 48715 43369 32320 222437 42144 34869 8790 45004 28419 39751 28472 79824 34851 23312 923 77902 56372 66482 3435 36588 61013 182711 46453 54799 47019 3382 2230 159558 43553 17298 N-Acetyl-ornithine 267027 236012 212131 236277 166120 204447 174115 176237 162630 176492 172395 566292 907274 268839 421388 335639 287669 227715 271164 204769 281277 252808 205788 264562 497511 294213 216216 247350 205415 387602 243219 310320 198855 218616 259487 331705 316053 258028 313404 294814 296876 237768 244797 325018 237584 248763 235810 352902 312347 249648 334357 282362 302670 200492 217413 238459 319294 203654 306131 287366 310427 215404 271120 250128 213860 243673 179673 171621 211300 128537 115566 212042 212582 198262 170031 191557 165700 123953 130874 188764 163719 202582 140716 173920 203671 174742 208071 199197 230104 161111 187742 174854 251906 162330 O-Phosphorylethanolamine 3421704 2262302 3788197 3204428 2182085 3656121 3805872 2625125 2683171 3545361 3372824 1978264 3245632 1825253 2559685 2931074 2819333 3278451 3754353 1724110 2638895 3567959 2582313 1958475 3648142 2968824 1623593 2358686 2976687 4812885 3344617 2079365 2483623 3728108 3965452 3008571 2103087 2236057 3199895 2899176 2219191 3069050 3940522 3120106 2702396 4248066 3877718 2431804 2944262 2119523 2728165 3081098 2969280 2511489 2327984 2889239 2576772 2542909 2847732 2858560 3208286 2402408 3003273 3547884 3121640 3298126 3353858 2637142 3058809 2438231 2140450 2885891 2408599 2786552 2591476 3070811 3463618 2715435 2816812 2451650 2831527 3452982 2233357 1784999 2607507 3166959 2625553 2969816 3352343 2771789 2647458 2115292 2855702 2041160 Ornithine 566033 464743 334091 373776 178050 194471 189962 345632 186314 175363 200876 302877 342890 472547 274199 360029 359611 143324 178021 274390 282533 182991 164996 335574 493754 411579 297088 383150 272978 258919 187993 433096 213741 161602 176337 276006 360368 271097 270905 276206 277381 186294 182712 333401 199416 238765 224060 251590 271483 315880 315614 338664 257120 147242 190617 248675 295141 268227 256845 331934 385417 171680 363891 305352 265980 239353 226914 202987 317050 253319 196444 261684 276134 293213 282094 301702 157778 117422 176948 278952 270116 208061 192540 261993 316124 230874 236793 256730 254629 204929 257914 213406 283652 245193 Phosphoenolpyruvic acid 117756 138995 127032 189634 88296 93602 101922 147250 84778 80736 115945 126734 145012 187577 131663 112851 154116 73497 100683 124120 145349 97960 77230 167547 132561 132061 132550 99549 125903 123169 105356 144820 75762 88466 91007 123354 165216 145069 110738 123623 137069 77166 85500 135554 158224 85156 78439 109673 102074 134301 113007 118634 117076 87494 85613 138183 98701 95566 127009 124034 120804 158973 105234 113507 93561 92399 209453 104521 141115 71163 68358 120075 124003 98140 110381 122927 164062 65016 94692 106236 114591 98631 88702 116187 143303 82020 108281 92323 94985 98698 76681 66877 111436 114206 Pinene 107422 96164 105887 103760 59503 116777 68024 78888 83171 81684 74439 53991 73853 66446 84230 88716 81465 64632 79918 71074 57728 75636 62738 67480 109126 79310 63904 71963 94178 96690 68585 72745 70800 65258 87968 106493 118549 88425 120717 97365 93734 86696 93065 102438 59228 113270 92319 79463 53291 74572 90470 64617 74516 65352 69001 68150 80030 82100 87824 99502 87895 42221 89671 78929 76390 99283 80285 77866 109897 61572 65550 90639 102356 90469 78930 88831 52954 68166 68460 62721 71771 68742 55221 64125 99563 79467 80250 85775 113297 105283 88586 74407 124950 68849 Pipecolinic acid 446640 329888 701798 437023 618135 688581 599786 245014 600344 522409 533325 296089 342335 390569 289664 368543 397007 600689 745398 272134 301466 712847 443274 404520 399486 341720 287137 318122 784906 1119427 629909 325488 503637 630521 834098 466083 419518 420034 447176 306149 422350 565488 616382 430504 927314 828158 643289 518629 435455 277339 367998 432196 410013 495263 339228 418967 249324 597876 553035 290549 328635 575254 315418 369400 267236 404631 367912 517126 400895 369222 335195 365604 445217 333985 381822 349468 623625 400270 356482 426305 340725 567996 457941 254292 402614 444980 376254 351206 429565 432671 481003 287159 341701 390962 Proline 102454570 100311258 54198915 92710290 31426850 37516703 31149374 79940086 36032812 40317075 43206881 79254950 97211615 110504157 86160186 91958331 114110156 33133846 42059460 67295459 68690058 45623952 32693905 83230325 94853163 77320520 57278013 70640472 44113373 50139448 32133547 74128416 31197680 30425468 35435539 55191231 72019434 49227599 56803033 70414378 70576902 40977234 42679638 68645868 57348797 52118228 46257535 49848547 67920202 68968974 72785034 74394129 53323393 28542060 29924847 63122101 62872675 37842171 49821605 62182062 77216295 44023684 71838749 64854898 62612655 48384856 54324604 42717479 67179146 34383375 28342086 55261228 68369483 68186186 65314194 61364835 48865010 35662457 38093163 57800550 50262615 43254737 31061710 51714727 68789516 39615231 51395806 52503294 49728014 37702700 39528346 28231107 58221129 32015201 Putrescine 345125 333660 376531 371860 418848 1096776 724969 302549 470796 1120076 949771 317317 337103 456848 347964 399954 400249 795772 767002 258788 247663 1137987 645169 408479 319813 299041 275704 325239 436633 847586 583222 302717 413694 952622 875923 394390 358209 365302 359133 329414 357727 2062702 684481 427954 394654 901428 931889 349527 220956 247562 301162 274933 334182 342946 324643 254066 267442 396289 390705 260756 288393 215605 254858 313242 316016 501626 390520 323090 302739 403732 419199 511128 350353 372012 383676 416078 295913 385787 491519 279345 372292 490608 374418 251009 352973 362842 309372 295729 301820 382746 503442 244843 339336 353693 Pyrogallol 1257280 1125213 1696673 2010758 343658 317506 198814 1227856 1359482 171269 135046 848367 1090749 428389 959464 549293 245143 164527 267705 534257 823241 153332 210100 487587 910984 1103067 370394 223069 1395617 96159 198987 744104 694099 63235 493487 945569 607723 965097 230826 856868 522304 623003 328704 1023551 1070919 769894 91415 853672 384558 1265115 1136513 1708871 1106399 869307 755650 1202777 650386 549336 575226 1193703 1085771 1236533 1195185 1635801 1125349 960450 650549 133489 1280858 652241 377254 855301 932280 374098 1063076 432620 690138 534162 544046 942174 1064762 612186 708698 137669 1480405 645289 1122264 1034807 1485053 885449 809764 451071 1315435 224563 Pyroglutamic acid 13103878 11110089 7691230 15061406 5070532 4547764 2665053 12262165 5074231 3183413 4369459 8291180 13005668 11724815 9018844 12191602 21723328 3313761 4274888 10742500 10916791 5653109 3322277 15350974 14320059 11979541 10355217 10984401 4610987 6189502 3668657 12485788 2990110 4342066 4257495 11585628 11002283 11502634 11115976 9588605 11323716 6028870 3936901 15281448 5063942 4830457 4482461 11287816 9238862 11455312 17285733 12299562 14043195 4898435 5987093 12473163 11106694 6457810 11035078 14423806 10731453 3951684 11097763 10499245 10238699 13821431 12253789 8735320 12829129 6071153 3093505 14415969 14306715 12582379 13260882 13624592 7592615 2666782 3499820 11757041 11075861 3999457 4716557 10271550 12575455 6581264 9958674 10567494 10117367 4180285 3688115 4720304 12757244 3817787 Ribulose-5-phosphate 4046647 8292175 2224245 11200118 1165126 2559493 2934007 7066114 1089865 2847211 2230548 4135643 11265803 5587908 7637885 4137505 9102146 1916596 2627107 3484754 3597202 2149936 2608841 3722829 6156309 2947755 2175223 6728749 1649266 4135282 2930487 1801341 1352892 3543602 2672556 3457023 4571284 2674632 2633338 5387430 5146260 2283450 2963020 5056590 1730607 2693098 3507307 1761396 1349315 6168078 1297331 8428504 1241067 1264186 1667982 2820102 1173582 1222740 1597208 1993899 7455758 536470 4941240 4689668 4588517 2335849 1861937 1292434 2604041 1852807 1730296 1047136 2511095 3670831 2467788 1552319 77589 1666140 1458104 508538 937393 2350892 1149106 3584094 3883800 2268678 3358832 3290380 4324774 2026440 1919906 1959651 3945072 1109948 Serine phosphate 244948 302674 334953 304779 268164 310256 249440 291466 265401 342561 335305 240423 323463 244514 292027 306247 304211 289830 292069 238492 269088 278026 204958 255802 254542 242378 214349 223363 332376 302658 311996 227095 297206 311671 319907 288083 320091 278740 271157 298972 325766 310426 336764 342824 287506 320656 327742 321523 258406 267125 248072 347733 340079 331751 299017 252470 246852 330094 328689 305424 321400 183163 299736 311711 289851 339407 320798 232400 323732 339304 261909 290819 255446 285276 306335 322816 324903 288387 339768 267556 267790 275278 305865 247372 258661 318846 264274 265034 306490 250159 317818 240529 306271 224109 Sugar alcohol 34963 49739 30613 51070 25716 37394 22047 78254 24984 23515 26199 34896 55459 114099 35661 76733 80693 28971 38703 72309 49351 31185 20891 99978 54193 26234 54006 55701 32579 40544 19768 63084 28492 31504 31612 60675 55159 50954 57894 38675 81499 33448 39015 69900 31671 36711 32572 80953 76967 74837 55450 57966 39573 33732 30533 49461 66116 59391 52376 45326 64794 23822 67504 46578 55230 58434 45262 42643 64520 31795 27606 60882 58958 62987 55700 63501 26330 19354 41694 34688 50356 38646 31979 56677 45497 22920 40164 51736 41166 42363 38629 20680 65022 22306 Threonine 3804822 3557133 2437386 3478228 1572594 1846755 1551598 2651057 1779831 1775122 1863605 2243021 2896934 3406298 2239730 2450469 4654120 1449971 1649827 2277743 2653917 1988770 1400475 3106505 3526983 3069791 2214179 2594154 1915156 2376752 1626015 2311845 1306066 1406679 1591448 2365041 2680702 2092746 2021738 2312070 2663250 1834530 1552503 2568113 2030204 2041694 2042495 1974631 2225300 2634829 2950470 2405222 1996347 1258349 1160701 2279337 2218953 1815325 1855690 2073079 2685350 1445180 2197059 2175856 2244866 1876591 1888860 1642877 2331693 1524043 1259499 1985972 2342309 2280969 2219533 2187150 1744138 1426603 1646108 2320821 1799656 1785658 1311936 1793274 2422733 1488110 1931888 1926038 1905626 1541610 1663146 1238928 2037728 1424165 UMP 52895 56552 93461 59405 79507 624220 710613 38888 71876 624309 698679 44230 48613 41304 56292 63338 47362 590367 461353 56567 57397 524086 405942 48837 42970 33281 19781 28479 49550 725051 536414 38235 37561 663821 787927 38445 42082 30068 65069 23113 30265 763551 621623 51191 49368 666825 560247 55669 58663 54803 55668 69312 39170 21950 21887 60616 56119 19060 30974 57948 55836 76374 56399 64282 52745 35013 27080 83282 73497 27701 38712 55561 42212 30072 40509 50781 36485 422043 148306 21625 33792 542140 10621 22211 38065 46397 38311 38596 40906 208389 311480 33493 43230 75827 Valine/5-Amino valeric acid 117729 92935 46252 72466 32947 33975 33690 69637 22570 30216 30925 63556 74245 78889 72714 76801 116144 26104 36383 56178 64687 32336 23172 78044 88583 75210 44726 66280 38817 46180 31744 65257 28596 26221 37597 61500 70248 45831 57875 63430 65269 44578 35178 66271 59642 44270 36499 48765 48949 52723 59738 61488 45136 23758 22105 62343 48653 28607 41594 47935 63751 46280 55527 56821 50315 43341 38684 37778 58130 30670 19428 43413 59724 62929 56912 57884 48697 29459 26321 52194 39116 35823 21738 41893 53411 35190 44389 44555 49545 39443 39772 24368 56596 30087 Valproic acid 190931 202986 264896 240854 180932 173942 190161 189758 213464 189786 183554 185234 196451 192153 178896 214819 189722 196170 167587 233056 184546 171148 175164 192766 152159 205104 181813 164002 206816 233417 181681 178679 189279 127772 189311 212997 151206 218601 176812 175208 252425 196898 211799 284993 176611 189400 173795 176431 208343 163434 254641 219758 227806 209245 159022 230903 210380 206888 193189 150491 188814 278975 199493 94512 219151 243852 221946 256266 174920 215063 198841 182573 171022 182435 193809 163939 83647 196167 187222 212610 208884 256469 178692 154290 230019 214488 162037 162514 149916 215832 262975 209644 178747 143878 g-Aminobutyric acid 265403082 245043996 247448364 276345291 155038280 186947814 179766682 212515959 163723293 180514550 188573433 175332842 271656975 237222973 186467582 210489621 263672983 165484006 196007271 182651141 204204032 211125912 154249597 215045371 273372880 241375062 175802743 217781950 199046546 250711139 196699664 232341502 156431043 174821757 199667468 226111511 222032826 172861821 261815276 211430328 207674585 154440761 204950417 221778530 204531917 198398419 188704313 218325405 215945241 184012688 211181546 226362012 185065663 162368185 150474010 209991022 186712794 186962794 197036941 211400007 226337034 160877137 216383606 211914030 205461474 199308819 200627255 201979793 222315228 140091972 135253914 213486457 204125287 199971586 196576164 212906868 177371179 171014032 175699219 151055014 204462376 204687482 142596036 178727031 227001372 196608227 199036403 207240102 218737334 186917626 175553753 150215946 224799281 168298405 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name HMDB_ID KEGG_ID PUBCHEM_ID 1-Methyl Adenosine HMDB0003331 4-Hydroxybenzaldehyde HMDB0011718 C00633 126 Acetylcarnitine HMDB0000201 C02571 7045767 Adenosine HMDB0000050 C00212 60961 AMP HMDB0003540 C00020 6083 Anserine HMDB0000194 C01262 112072 Arginine HMDB0000517 C00062 6322 Carnitine HMDB0000062 C00318 10917 Carnosine HMDB0000033 C00386 439224 Choline HMDB0000097 C00114 305 Citrulline HMDB0000904 C00327 9750 Creatine HMDB0000064 C00300 586 Cytidine HMDB0000089 C00475 6253 Glutamic acid HMDB0000148 C00025 33032 Glutamine HMDB0000641 C00064 5961 Glutathione HMDB0000125 C00051 745 Glutathione oxidized HMDB0003337 Guanine HMDB0000132 C00242 764 Histidine HMDB0000177 C00135 6274 Hypoxanthine HMDB0000157 C00262 790 IMP HMDB0000175 C06665 135398640 Inosine HMDB0000195 C00294 6021 Isovalerylcarnitine HMDB0000688 - 6426851 Malic acid HMDB0000156 C03668 525 Methionine HMDB0000696 C00073 6137 N-Acetyl-arginine HMDB0004620 N-Acetyl-aspartic acid HMDB0000812 N-Acetyl-glutamine HMDB0006029 N-Acetylneuraminic acid HMDB0000230 C19910 445063 Nicotine amide HMDB0001406 C00153 936 Pantothenic acid HMDB0000210 C00864 6613 Phenylalanine HMDB0000159 C00079 6140 Phosphocholine HMDB0001565 C00588 1014 Propionylcarnitine HMDB0000824 C03017 107738 Pyridoxal HMDB0001545 C00250 1050 Serine HMDB0000187 C00716 5951 Spermine HMDB0001256 C00750 1103 Taurine HMDB0000251 C00245 1123 Threonic acid HMDB0000943 C01620 151152 Trigonelline HMDB0000875 C01004 5570 Tryptophan HMDB0000929 C00078 6305 Tyrosine HMDB0000158 C00082 6057 Uracil HMDB0000300 C00106 1174 Uridine HMDB0000296 C00299 6029 Urocanic acid HMDB0000296 C00785 736715 Xanthine HMDB0000292 C00385 1188 2-Oxoglutaric acid HMDB0000208 C00026 51 3-Methylhistidine HMDB0000479 C01152 64969 4-Guanidinobutyric acid HMDB0003464 C01035 500 7-Methylguanine HMDB0000897 C02242 11361 Acetylcholine HMDB0000895 C01996 6060 Acetylhistidine HMDB0032055 Adenine HMDB0000034 C00147 190 Alanine HMDB0000161 C00041 5950 Aldopentose Asparagine C00152 6267 Aspartic acid HMDB0000168 C00049 5960 Benzaldehyde HMDB0000191 C00261 240 Betaine HMDB0006115 C00719 247 Butyrylcarnitine HMDB0000043 C02862 439829 CDP-choline HMDB0002013 C00307 13804 CDP-ethanolamine HMDB0001413 C00570 123727 cis-Aconitic acid HMDB0001564 C00417 643757 CMP HMDB0000072 C00055 6131 Creatinine HMDB0000095 C00791 588 Cysteine HMDB0000562 C00097 5862 Cystine HMDB0000574 C00491 67678 Cytosine HMDB0000192 C00380 597 Dihydroxyacetone-phosphate HMDB0000630 C00111 668 Dulcitol/Mannitol/Sorbitol HMDB0001473 Ethylmalonic acid/Glutaric acid Fumaric acid C00122 444972 Galactonic acid/Gluconic acid HMDB0000134 Glycine C00037 750 GMP HMDB0000123 C00144 6804 Guanidoacetic acid HMDB0001397 C00581 763 Guanosine HMDB0000128 C00387 6802 Hexose HMDB0000133 C00984 439357 Homoarginine C01924 9085 Hydroxyphenyllactic acid HMDB0000670 C03672 9378 Imidazole HMDB0000755 C01589 795 Indole-3-carboxyaldehyde HMDB0001525 C08493 10256 Isocitric acid HMDB0000181 C00311 1198 Isoleucine HMDB0000193 C00407 6306 Leucine HMDB0000172 C00123 6106 Lysine HMDB0000687 C00047 5962 Methionine sulfoxide HMDB0000182 C02989 158980 Mucic acid HMDB0002005 C00879 3037582 N-Acetyl-alanine HMDB0000639 N-Acetyl-glucosamine HMDB0000766 N-Acetyl-glutamic acid HMDB0000215 C00624 70914 N-Acetyl-glycine HMDB0001138 10972 N-Acetyl-lysine HMDB0000532 N-acetyl-methionine HMDB0000446 C02712 6180 N-Acetyl-ornithine HMDB0011745 O-Phosphorylethanolamine HMDB0003357 C00346 1015 Ornithine HMDB0000224 C00077 6262 Phosphoenolpyruvic acid HMDB0000214 C00074 1005 Pinene HMDB0000263 Pipecolinic acid HMDB0036560 C00408 849 Proline HMDB0000070 C00148 145742 Putrescine HMDB0000162 C00134 1045 Pyrogallol HMDB0001414 C01108 Pyroglutamic acid HMDB0013674 C01879 7405 Ribulose-5-phosphate HMDB0000267 Serine phosphate HMDB0000618 C01005 106 Sugar alcohol HMDB0001721 Threonine HMDB0001851 C00188 6288 UMP HMDB0000167 C00105 6030 Valine/5-Amino valeric acid HMDB0000288 Valproic acid C07185 3121 g-Aminobutyric acid HMDB0001877 C00334 223130 METABOLITES_END #END