#METABOLOMICS WORKBENCH gabrieltofani_20240903_024337 DATATRACK_ID:5160 STUDY_ID:ST003470 ANALYSIS_ID:AN005705 PROJECT_ID:PR002130 VERSION 1 CREATED_ON September 6, 2024, 3:19 pm #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 Amygdala 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 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT5 GROUP_ID=GF_ZT5 SUBJECT_SAMPLE_FACTORS - GF_51 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT5 GROUP_ID=GF_ZT5 SUBJECT_SAMPLE_FACTORS - GF_52 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT5 GROUP_ID=GF_ZT5 SUBJECT_SAMPLE_FACTORS - GF_24 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT5 GROUP_ID=GF_ZT5 SUBJECT_SAMPLE_FACTORS - GF_25 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT5 GROUP_ID=GF_ZT5 SUBJECT_SAMPLE_FACTORS - GF_28 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT5 GROUP_ID=GF_ZT5 SUBJECT_SAMPLE_FACTORS - GF_26 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT5 GROUP_ID=GF_ZT5 SUBJECT_SAMPLE_FACTORS - GF_32 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT11 GROUP_ID=GF_ZT11 SUBJECT_SAMPLE_FACTORS - GF_36 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT11 GROUP_ID=GF_ZT11 SUBJECT_SAMPLE_FACTORS - GF_41 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT11 GROUP_ID=GF_ZT11 SUBJECT_SAMPLE_FACTORS - GF_42 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT11 GROUP_ID=GF_ZT11 SUBJECT_SAMPLE_FACTORS - GF_43 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT11 GROUP_ID=GF_ZT11 SUBJECT_SAMPLE_FACTORS - GF_45 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT11 GROUP_ID=GF_ZT11 SUBJECT_SAMPLE_FACTORS - GF_47 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT11 GROUP_ID=GF_ZT11 SUBJECT_SAMPLE_FACTORS - GF_48 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT11 GROUP_ID=GF_ZT11 SUBJECT_SAMPLE_FACTORS - GF_91 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT17 GROUP_ID=GF_ZT17 SUBJECT_SAMPLE_FACTORS - GF_92 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT17 GROUP_ID=GF_ZT17 SUBJECT_SAMPLE_FACTORS - GF_93 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT17 GROUP_ID=GF_ZT17 SUBJECT_SAMPLE_FACTORS - GF_94 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT17 GROUP_ID=GF_ZT17 SUBJECT_SAMPLE_FACTORS - GF_95 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT17 GROUP_ID=GF_ZT17 SUBJECT_SAMPLE_FACTORS - GF_96 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT17 GROUP_ID=GF_ZT17 SUBJECT_SAMPLE_FACTORS - GF_97 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT17 GROUP_ID=GF_ZT17 SUBJECT_SAMPLE_FACTORS - GF_98 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT17 GROUP_ID=GF_ZT17 SUBJECT_SAMPLE_FACTORS - GF_54 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT23 GROUP_ID=GF_ZT23 SUBJECT_SAMPLE_FACTORS - GF_55 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT23 GROUP_ID=GF_ZT23 SUBJECT_SAMPLE_FACTORS - GF_56 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT23 GROUP_ID=GF_ZT23 SUBJECT_SAMPLE_FACTORS - GF_57 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT23 GROUP_ID=GF_ZT23 SUBJECT_SAMPLE_FACTORS - GF_59 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT23 GROUP_ID=GF_ZT23 SUBJECT_SAMPLE_FACTORS - GF_60 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT23 GROUP_ID=GF_ZT23 SUBJECT_SAMPLE_FACTORS - GF_61 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT23 GROUP_ID=GF_ZT23 SUBJECT_SAMPLE_FACTORS - GF_53 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT23 GROUP_ID=GF_ZT23 SUBJECT_SAMPLE_FACTORS - CV_6 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT5 GROUP_ID=CV_ZT5 SUBJECT_SAMPLE_FACTORS - CV_7 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT5 GROUP_ID=CV_ZT5 SUBJECT_SAMPLE_FACTORS - CV_8 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT5 GROUP_ID=CV_ZT5 SUBJECT_SAMPLE_FACTORS - CV_9 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT5 GROUP_ID=CV_ZT5 SUBJECT_SAMPLE_FACTORS - CV_10 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT5 GROUP_ID=CV_ZT5 SUBJECT_SAMPLE_FACTORS - CV_11 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT5 GROUP_ID=CV_ZT5 SUBJECT_SAMPLE_FACTORS - CV_12 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT5 GROUP_ID=CV_ZT5 SUBJECT_SAMPLE_FACTORS - CV_13 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT5 GROUP_ID=CV_ZT5 SUBJECT_SAMPLE_FACTORS - CV_16 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT11 GROUP_ID=CV_ZT11 SUBJECT_SAMPLE_FACTORS - CV_17 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT11 GROUP_ID=CV_ZT11 SUBJECT_SAMPLE_FACTORS - CV_18 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT11 GROUP_ID=CV_ZT11 SUBJECT_SAMPLE_FACTORS - CV_19 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT11 GROUP_ID=CV_ZT11 SUBJECT_SAMPLE_FACTORS - CV_20 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT11 GROUP_ID=CV_ZT11 SUBJECT_SAMPLE_FACTORS - CV_101 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT11 GROUP_ID=CV_ZT11 SUBJECT_SAMPLE_FACTORS - CV_102 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT11 GROUP_ID=CV_ZT11 SUBJECT_SAMPLE_FACTORS - CV_66 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT17 GROUP_ID=CV_ZT17 SUBJECT_SAMPLE_FACTORS - CV_67 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT17 GROUP_ID=CV_ZT17 SUBJECT_SAMPLE_FACTORS - CV_68 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT17 GROUP_ID=CV_ZT17 SUBJECT_SAMPLE_FACTORS - CV_69 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT17 GROUP_ID=CV_ZT17 SUBJECT_SAMPLE_FACTORS - CV_70 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT17 GROUP_ID=CV_ZT17 SUBJECT_SAMPLE_FACTORS - CV_71 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT17 GROUP_ID=CV_ZT17 SUBJECT_SAMPLE_FACTORS - CV_122 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT17 GROUP_ID=CV_ZT17 SUBJECT_SAMPLE_FACTORS - CV_123 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT17 GROUP_ID=CV_ZT17 SUBJECT_SAMPLE_FACTORS - CV_78 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT23 GROUP_ID=CV_ZT23 SUBJECT_SAMPLE_FACTORS - CV_79 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT23 GROUP_ID=CV_ZT23 SUBJECT_SAMPLE_FACTORS - CV_80 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT23 GROUP_ID=CV_ZT23 SUBJECT_SAMPLE_FACTORS - CV_81 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT23 GROUP_ID=CV_ZT23 SUBJECT_SAMPLE_FACTORS - CV_82 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT23 GROUP_ID=CV_ZT23 SUBJECT_SAMPLE_FACTORS - CV_83 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT23 GROUP_ID=CV_ZT23 SUBJECT_SAMPLE_FACTORS - CV_117 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT23 GROUP_ID=CV_ZT23 SUBJECT_SAMPLE_FACTORS - CV_118 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT23 GROUP_ID=CV_ZT23 SUBJECT_SAMPLE_FACTORS - ABX_72 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT5 GROUP_ID=ABX_ZT5 SUBJECT_SAMPLE_FACTORS - ABX_73 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT5 GROUP_ID=ABX_ZT5 SUBJECT_SAMPLE_FACTORS - ABX_74 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT5 GROUP_ID=ABX_ZT5 SUBJECT_SAMPLE_FACTORS - ABX_75 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT5 GROUP_ID=ABX_ZT5 SUBJECT_SAMPLE_FACTORS - ABX_76 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT5 GROUP_ID=ABX_ZT5 SUBJECT_SAMPLE_FACTORS - ABX_77 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT5 GROUP_ID=ABX_ZT5 SUBJECT_SAMPLE_FACTORS - ABX_84 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT5 GROUP_ID=ABX_ZT5 SUBJECT_SAMPLE_FACTORS - ABX_86 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT5 GROUP_ID=ABX_ZT5 SUBJECT_SAMPLE_FACTORS - ABX_62 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT11 GROUP_ID=ABX_ZT11 SUBJECT_SAMPLE_FACTORS - ABX_63 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT11 GROUP_ID=ABX_ZT11 SUBJECT_SAMPLE_FACTORS - ABX_64 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT11 GROUP_ID=ABX_ZT11 SUBJECT_SAMPLE_FACTORS - ABX_65 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT11 GROUP_ID=ABX_ZT11 SUBJECT_SAMPLE_FACTORS - ABX_87 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT11 GROUP_ID=ABX_ZT11 SUBJECT_SAMPLE_FACTORS - ABX_88 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT11 GROUP_ID=ABX_ZT11 SUBJECT_SAMPLE_FACTORS - ABX_89 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT11 GROUP_ID=ABX_ZT11 SUBJECT_SAMPLE_FACTORS - ABX_90 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT11 GROUP_ID=ABX_ZT11 SUBJECT_SAMPLE_FACTORS - ABX_105 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT17 GROUP_ID=ABX_ZT17 SUBJECT_SAMPLE_FACTORS - ABX_106 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT17 GROUP_ID=ABX_ZT17 SUBJECT_SAMPLE_FACTORS - ABX_107 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT17 GROUP_ID=ABX_ZT17 SUBJECT_SAMPLE_FACTORS - ABX_108 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT17 GROUP_ID=ABX_ZT17 SUBJECT_SAMPLE_FACTORS - ABX_119 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT17 GROUP_ID=ABX_ZT17 SUBJECT_SAMPLE_FACTORS - ABX_121 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT17 GROUP_ID=ABX_ZT17 SUBJECT_SAMPLE_FACTORS - ABX_109 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT23 GROUP_ID=ABX_ZT23 SUBJECT_SAMPLE_FACTORS - ABX_110 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT23 GROUP_ID=ABX_ZT23 SUBJECT_SAMPLE_FACTORS - ABX_111 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT23 GROUP_ID=ABX_ZT23 SUBJECT_SAMPLE_FACTORS - ABX_112 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT23 GROUP_ID=ABX_ZT23 SUBJECT_SAMPLE_FACTORS - ABX_113 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT23 GROUP_ID=ABX_ZT23 SUBJECT_SAMPLE_FACTORS - ABX_114 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT23 GROUP_ID=ABX_ZT23 SUBJECT_SAMPLE_FACTORS - ABX_115 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT23 GROUP_ID=ABX_ZT23 SUBJECT_SAMPLE_FACTORS - ABX_116 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT23 GROUP_ID=ABX_ZT23 #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_28 GF_26 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_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 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT5 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT5 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT5 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT5 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT5 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT5 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT5 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT11 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT11 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT11 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT11 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT11 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT11 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT11 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT11 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT17 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT17 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT17 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT17 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT17 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT17 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT17 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT17 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT23 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT23 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT23 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT23 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT23 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT23 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT23 Sample source:Amygadala | Treatment:GF | Zeitgeber_time:ZT23 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT5 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT5 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT5 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT5 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT5 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT5 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT5 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT5 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT11 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT11 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT11 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT11 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT11 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT11 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT11 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT17 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT17 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT17 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT17 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT17 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT17 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT17 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT17 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT23 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT23 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT23 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT23 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT23 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT23 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT23 Sample source:Amygadala | Treatment:CV | Zeitgeber_time:ZT23 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT5 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT5 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT5 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT5 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT5 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT5 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT5 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT5 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT11 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT11 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT11 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT11 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT11 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT11 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT11 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT11 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT17 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT17 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT17 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT17 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT17 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT17 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT23 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT23 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT23 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT23 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT23 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT23 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT23 Sample source:Amygadala | Treatment:ABX | Zeitgeber_time:ZT23 1-Methyl Adenosine 621886 341183 567970 768697 1074042 1130616 426581 482477 821769 757200 786172 1198265 1118568 1222454 1055991 813273 820903 1148999 1001464 996448 714098 814420 1278850 1245165 1025120 1068567 1604770 1103850 1988975 1282550 1023660 1497793 1290919 1260375 1058795 1155968 1019965 1138487 1228595 1289417 1271521 1385389 492363 1608862 1376111 1448103 1364329 1064442 713094 1056651 897860 981709 1106454 897401 820964 895889 1055058 1220920 1009628 1091789 1402010 1213565 1021424 1033278 1230658 1000292 1114537 926357 743965 769014 1050659 956834 820237 1320411 1410086 1223541 832272 587320 1217113 1285413 1146471 320198 1013415 893895 1275541 1226021 1199847 1205066 1669121 993459 981684 1103522 3-Methylhistidine 725794 354666 818724 1048665 828668 1285889 558650 1375507 1719089 1535328 3083663 3342227 2621597 3464576 3439991 1037524 1207008 1481128 610981 991226 1006802 1136272 1257677 1138789 919374 1004906 1264928 1004095 1473243 1321458 1301072 2241791 1722976 2423991 1975620 1537245 1360165 1221725 1446893 2830745 2401688 3784382 1342773 3457256 3269621 3526567 1809850 1255742 1031517 1657413 1392723 1401153 1430456 1548006 614016 944164 815743 1011178 926923 829743 1125788 1091235 1209375 1547507 1542526 1184978 929522 1048921 725841 707690 2625736 2599385 1828956 2591993 2909436 2617113 2842472 1308689 917386 950427 862799 276549 1005067 988404 700411 536116 740946 761824 836379 504402 625353 788530 4-Guanidinobutyric acid 2859458 762714 1691661 1442716 2094380 1547172 1046747 1479729 1514074 2078144 3112952 1667984 1846133 3281794 1799886 1667559 1491159 2709907 5803205 3006758 1634577 1861530 4032939 4183860 3079650 2296273 2251971 2862407 5438192 2132666 2373199 3743584 2471276 3078189 2585537 3433002 1774933 4018612 2091721 2490107 2880572 1915177 1745462 2688277 2740093 4562124 2488276 2527422 904123 1159897 1231781 1587783 2143407 1235160 3160029 2387816 1694131 1755929 2005706 1974423 2226410 1872143 2447355 1561840 1827333 3971051 2112830 1421590 1954527 1195799 1937400 1434049 1452299 1888611 2286335 2063893 2117940 1085628 2407072 3118727 2905030 1172355 2267417 1703136 1801174 2436340 2716931 2247000 2562019 1714166 2222848 3305069 4-Hydroxybenzaldehyde 1726683 1183982 1832015 1872122 2552841 2089438 1064682 1649338 1976001 2522862 3673054 2077560 2519272 3804896 2062272 1751652 1896671 2513330 2434777 3096226 2353085 2407471 4576437 3190028 2734728 3524590 2645596 3644863 5382542 3281458 3334010 4785576 3815147 4090713 3761124 4455506 2464444 5089713 2392997 3696511 3449765 2701880 2889054 2733215 3377441 5354660 3026443 3452075 1362598 1475128 2084537 2168290 2708702 1764861 3751380 2749376 2298450 2332819 2304322 2280702 1670924 2245574 2842666 2046467 2527577 3767290 2833278 2009946 2325762 2400074 2716646 2025517 2258594 2569173 3268941 1914016 3644008 2076893 3496073 4795279 3814490 1737170 3500660 2997998 2436751 3292123 3763429 3261603 3663066 3013831 3929793 4309815 Acetylcarnitine 23649045 17024637 37065812 24183428 35022936 41605693 15171316 7773282 34932313 26788210 40893326 41190176 34887458 58054734 24564938 25980774 6170283 8153834 5464401 6225509 10066563 8226170 10056504 59257307 35541544 33235310 42535601 44947378 107040221 35735537 44023363 8235252 27322977 24506171 50109871 35840385 15485202 13014290 28310533 25782850 27304034 25373432 15013911 31323623 30904051 49713800 29819486 24296242 23467826 25745915 28657573 17979928 27167865 37252735 51896251 45994782 41535237 42824771 27835796 28709627 25541936 33292315 15197467 12155017 9593518 9752272 9420820 25540563 26113465 24236458 25664060 18958021 12430147 12224025 16718448 6579850 10069275 4446872 13903836 13386411 9764589 3190142 22049115 13649535 6835301 7519670 9574492 9731705 30339909 14229261 9985672 9859236 Adenosine 19787057 38050933 85815767 98719541 173746334 1562586 540155 22345027 56645661 106526045 101679380 722083 891949 1488043 826765 6144209 76158737 164904306 136502266 105260939 127217175 100627470 196537067 63212105 11760452 1555889 1280122 1475944 2439590 1616395 1569383 117590882 46356593 1279088 3801372 3195334 1154452 113942828 1791447 1818423 56464346 1261696 5575421 2015638 1339167 56007882 29196113 110376495 1124862 1276054 769024 119026189 195862307 912593 159822267 155421841 131681982 1738584 1728024 17407414 1635340 135965709 206619301 1479266 1711045 79335587 184160265 94302996 149502676 106983983 108441735 98694498 66066613 913522 1665955 15163806 150111643 70231029 1694190 106206262 45455257 79301531 109093598 103182487 1639304 169717426 85228251 111625459 1698484 149588602 147647067 62169934 Arginine 28653690 13218733 18974815 33656397 33333216 47074979 16968670 28744587 31462344 38367621 30225127 36336091 39265676 47911420 35451956 31809682 26382856 24276492 25909302 29905299 25417916 22919801 29103187 38950657 43310207 55456899 61263901 60907622 58856425 39625399 33470105 41425767 45870945 47498066 37083199 55618917 42264823 40715730 41621622 47779341 36527160 47794693 21444629 72118231 61860393 55940510 39252427 32712590 39372929 40033942 35041415 29724486 30686775 26860040 25469797 32482741 34262846 49950019 41334220 44397887 62129355 35907231 27083907 40483644 43797962 38214174 23230638 29254013 30409566 23891337 30071074 31233779 30401078 37969501 43771490 47737051 38435750 19043240 33296354 43206685 40677635 12974885 30294881 32581136 47075966 38224783 38885186 40507653 51808638 29539732 28608400 38933839 Carnitine 81585611 27161132 59846322 78163754 104368486 96764534 42153640 81347782 85877417 77388421 78481959 100082118 95941561 124028234 107120040 102367389 100550061 140662844 101017741 114639002 84902971 99350024 149644159 125095074 96015465 91366130 112227821 111359864 183137230 83715889 86323096 119553641 89015566 106755489 78890770 104783047 72953610 66378551 66336460 91274166 99886996 98809564 32656499 140811932 136861987 141505720 122411114 83191995 58310558 82857169 70791445 107644067 81994104 59070788 59343639 78679616 78024885 76893976 102486428 109830386 125736473 89964413 81545169 89317281 97657190 108921904 89749226 74878993 50048696 57562768 77499380 84554287 65737318 99097192 105566996 138720277 84151689 53793455 102699691 94243546 120948195 27492566 80439539 59753349 94979586 100850074 102634911 97602333 103627291 66798428 75591371 129455741 Carnosine 1306851 552290 1805151 1121696 1250563 1750018 752498 959663 1533725 1088427 1027871 1468709 1284178 931743 1535142 1381462 1057603 1191241 841245 795481 850850 947143 1189266 2039925 1051904 908286 1650777 984586 1523738 1156815 1820109 1220363 960353 1445445 1161588 701597 1261039 778832 1336283 1083609 1315788 1439569 704373 2051719 1639416 1335235 1110297 1010743 1083184 1121363 742087 1086792 1107065 1187198 1062860 1108451 1330303 1376502 1469096 1689183 1698513 1312005 907769 960071 894303 1244879 757746 1080103 925469 1032287 1058537 1554354 1058837 1314840 1069828 2522273 1052657 964623 858194 844485 1210495 558751 1089995 717061 1326971 1142533 996392 1189508 1164304 998941 1009488 1255684 Choline 639513813 228001332 431893829 696017062 863615633 938207302 363723412 464056214 673148399 752605016 743479414 1034484834 1019003718 1761694457 1054212049 750444172 752722970 832360050 712495801 932791087 634772925 608932411 1121962368 1060341758 864706846 1305805251 1192814288 1653643355 1871173074 1098788718 1045166091 1222587847 1280024187 1316856584 1285131264 1776227486 1101169774 1580871716 1060731729 1371257704 1121889638 1238845810 802809777 996938183 1195722625 1480406561 1066242361 871781293 833459287 1025296401 1290737966 862276399 984141464 876247616 921881093 949205628 888852069 1167388378 881404402 926389483 952952666 869101141 899887829 1171613873 1339167800 1361037525 786670332 815503714 788679807 612245181 833655561 819055609 773823646 1229564889 1571410234 753836299 1064560953 557986737 1273778749 1852031629 1118769115 457057306 900887551 882761090 1042880718 914156457 1130389944 1015954045 1601955718 633267342 897630893 1017183429 Citrulline 867803 345485 564818 1586953 2470847 1583982 1875306 795018 2077907 1835992 5007174 2255542 2230123 3509577 2181288 1826007 1224486 2226605 1679455 2075507 1614125 1827406 2555118 1212744 1319838 1419922 1220570 1308046 2383794 1574849 1214191 2849689 1673561 2585302 1220932 2007928 1426782 2335601 1393296 2496040 1512940 2368417 644774 1737580 2094276 3556098 1952482 1828286 884496 1232065 1286833 1459294 1785143 1076145 1472456 1772240 1702611 1544553 1054165 1050943 926071 1548314 2659281 1926851 1791314 1932425 2017445 1244828 1347698 1281558 2286712 1222510 1484634 2248863 2381349 764209 1236599 855881 2029491 1623984 1367610 462533 1975714 1375438 1676216 1271813 2200957 1503174 2291680 719862 1965798 1474205 Creatine 531930464 374527392 505506720 618313216 727070464 732762816 456020384 554521216 671462464 600072384 647293696 743654016 722717120 809936576 736330496 710077696 709980672 731882176 666262592 727965056 593235648 648597440 750794112 720476608 683071360 644568576 757582336 655142592 921067136 671449024 613232704 772257472 717121536 730892736 695831680 714389696 637483520 625172544 621167296 699962048 745493568 732459264 430739840 856432128 789244736 856684032 715616576 603270464 566087168 655832384 621761024 655832128 705343808 598147328 637071168 648534080 651151104 644843968 711127744 703272768 798269888 700034752 665593920 647642752 682158208 662711808 629103040 663559616 527457504 587916288 667679808 675642688 579861248 677948736 707786176 811182464 606975936 468692864 667327744 691341888 727234304 331284448 661997248 598112960 730792640 668717504 732672448 720412416 720169984 585668928 634723264 767424448 Cytidine 4237791 3688187 6021778 4746905 4910816 8141261 3032890 3924202 5395143 7698568 7833235 1664974 9246608 20572485 6794912 7451061 6883409 4573479 4889916 7216727 4333066 3077314 5370063 8686791 8407876 16916547 9126886 19758747 29368890 18301514 16120113 7885162 12591495 18616694 23422317 21694763 6094601 14139955 10743272 17158682 9975825 14519912 9017688 13930141 10370185 12854941 8149829 5270666 670693 5661023 13799474 5281503 7491381 3097867 7519676 7919340 7589996 14150584 9859239 8201053 1161529 7483234 5969708 6467666 11710088 11885563 6161053 8413032 5493259 6517164 7354511 7682471 7460841 4271156 14346849 12311253 12883698 3670355 11975382 18908998 9531758 2153283 7006721 8350918 3359495 7692936 10468243 8174338 9022730 5813596 7420772 8584049 Glutamic acid 21039881 12698302 22134518 30095397 37825577 49388212 19029719 19270278 35632236 30433600 39543419 46965908 37552313 53999319 41744420 44156335 40648316 45851299 38168120 43515622 29985688 31429300 40933571 37610417 34471945 32271951 40310509 38739846 52048021 39382705 29533668 47413336 42179140 43598776 45268033 40647169 29643430 36970661 34320222 43260019 45607439 47636449 20390230 48159804 45938223 65200924 45749629 35847687 27035812 35946002 36902741 38820315 44345723 35873623 40631847 45687460 41912550 44300816 43284724 39345052 39400770 41817296 39255513 34913683 38326857 26885742 34658797 37121830 22746027 29784619 36974261 34546296 25252275 37090697 39031593 36874244 29586309 18557213 34006923 44411338 38527468 9280241 36503903 33790046 38522149 35726208 41532650 39416926 43110341 28434632 39050549 37712151 Glutamine 10016919 5500083 9722018 15978790 19290829 19088848 8051371 10130064 14854243 13567059 18609663 22292772 20466192 26347732 21656406 21661772 18604941 20622069 16641665 19856980 14954003 16291936 23173021 23261491 18841591 16725278 19312505 18692407 38710268 20036956 16411081 25166604 22513994 22850866 17128766 20843935 16629607 19770091 17223994 20164371 21776185 20549010 7718435 20006208 22505624 29803799 21713893 18028807 13212865 17731488 17107387 18153419 20974258 15174676 17130441 19371717 19328732 19767723 18163864 18402063 19786800 21842718 18521265 18700252 18466036 15337813 17624715 16675979 12561875 14816778 16959805 16974324 13350180 18153786 21093642 17281204 15455827 10299550 18757261 20087626 21424865 4947689 19301561 15069898 21180698 21529384 22981816 22021530 24121211 14967970 16332251 20743611 Glutathione oxidized 1984090 1372668 2721276 2988346 5151161 842104 1143663 1864722 5260585 2065713 4162345 4406856 2069201 2940308 2944306 7138411 6561921 4398567 4124442 5234745 3424983 3572846 3877251 4477667 2939106 428004 7089 639128 2652076 451939 663096 4523333 2322299 1574156 405656 1333345 1398052 1240635 343998 4018427 5394521 362438 187832 434100 2235363 5667859 2039011 2800128 3810369 553420 1570317 5555752 5245423 1638818 3683064 6336295 4968568 470820 2439597 4956588 5206852 4768214 4634584 4862179 3360957 1361368 4233615 4485043 3440867 3645594 4126443 4883663 2908603 879555 1021728 4391386 3075148 1913779 873039 2140504 3204620 713487 4009739 1626492 2651474 4897367 5038859 4358316 496329 3186071 3939557 3983156 Histidine 10233540 8037030 8901323 11575762 10914010 16963635 12347624 12313320 12681452 14364936 18928573 13755554 17360066 26970221 14601364 11766682 10516268 13213710 14495341 10585000 10777043 12441534 15057713 13111059 15919883 25390563 19547479 38329785 25086292 17984882 17606076 14057316 14777587 16682628 18150657 28373102 13359750 29475628 15397885 17649929 15291345 18227399 11695093 20005524 17704517 19239731 14362251 12788529 13133638 13150658 15359627 9948712 12274799 13071614 15328133 11149312 11445084 16504007 14098582 12946729 15653239 12353704 11836500 13415704 15622694 19033192 12086843 11023063 10251945 11098114 13588389 12896239 9232627 14131343 18381844 13710678 14953739 10634491 15690197 19977000 13737170 7087298 13203968 10670332 12659917 12463126 11511834 10461468 18087053 12375922 3356740 10808838 Hypoxanthine 3089734 1262688 2015512 3357220 3431957 3227132 1261524 3138328 4354205 3708467 4198537 4480567 5622874 7410679 5158276 5748249 4069472 3816301 4159885 5182448 2971620 3566318 4571903 5350537 5339565 5484609 7219897 6133480 8450937 4284170 3842964 5837096 5873788 6700089 2777973 5650078 5597259 4065961 4413337 5418190 5318032 5956263 1065095 7510785 7674297 9070554 6852977 3924084 6786742 6415962 3424099 3523412 2411972 1467567 2636655 2879413 3137127 3416236 3604025 5252809 10455321 3469135 2645066 6768015 5438884 3281554 2661167 3344854 2144008 2496490 4047310 3999782 3947646 4723056 5204078 7128345 4094910 2387862 4042327 3659145 5982646 983920 4159814 3375506 5721868 3668641 6147556 5338353 5996348 2656488 3269139 5903940 Inosine 47588324 35741190 45906923 52816811 60094749 79086397 50371372 49493815 69438685 53768580 56004794 77831033 68341986 79281896 73402547 62495405 69981012 67542469 55139166 65998089 50449253 59954300 61737604 69496367 59193785 56859263 69540073 59131184 91718873 70852680 62639715 73276078 73705670 73090011 80304044 65060745 58840462 58199032 66006389 75608440 65307885 72963991 54178127 66577721 73982558 77201294 71463141 55561038 43701877 58647733 68388474 62021793 60153819 69081945 50710700 55680329 65217704 67087661 72394753 65497171 54687373 63469761 50885354 54756800 70944059 62045342 55203682 61786783 43048911 58513894 61082594 60598998 54675151 73541426 75508958 66128143 49097436 48227754 66550123 65652485 66112711 30130762 64888562 56808082 71682363 57522518 70425533 62318646 74949804 51068992 53786305 64445081 Lysine 1409240 739660 815768 1585700 1801735 1868115 737673 1208344 1730678 1564594 1493912 2067727 2434393 2939421 2053657 1473669 1405940 1117388 1425850 1624662 1165177 960713 1264707 2009955 2098482 2727062 2892654 3431563 3849221 1680495 1524258 2451815 2320006 2374339 1903791 3343084 2331792 2221725 2053697 2647009 2422543 2026964 915581 3257472 3542034 2704687 1744900 1572175 1646074 1741608 1676611 1446699 1370534 841753 1087254 1510342 1435209 1689935 1383993 1620043 2408367 1422384 1632090 1960625 2322294 1562053 1184048 1661038 1456041 1096861 1402515 1779730 1713709 2154599 2586307 2221321 2038317 885485 1240143 1995923 1966400 469468 1228721 1540774 2043499 1640149 1652311 1594033 2239402 1152312 1123531 1718403 Malic acid 644391 359162 767256 873625 918140 1529752 414878 379576 1230082 453042 595932 1916008 1200611 941026 1083626 1525606 1707154 1169505 1367848 942234 619179 863382 532690 1019543 1242330 1069519 2900583 971341 1960160 750719 621314 676253 935401 633046 997050 791534 1408398 393357 917540 1276146 1232012 931342 311784 4773278 2761573 841308 923313 462483 3233726 2256297 932941 1147178 874627 615992 502548 912048 838143 551583 1068152 1421359 4107586 1057666 544658 3187975 2130459 364313 637610 1127415 500920 488016 512872 1200929 754445 1592028 816504 2194855 582935 314352 426631 350603 752529 61443 429506 486432 2685738 859868 878057 1242033 1185106 524163 432100 461033 Methionine 5840245 2508053 3370572 9083933 10189597 12752332 2776242 5926078 9762872 9089012 7175696 12600845 13778625 19309485 11471594 10072191 9213824 8939294 9876731 9954623 7258009 7211972 10357081 11355418 12990716 16100339 16951337 18304145 24167503 11666834 9122938 14531275 14105445 16560783 10627278 19294005 11987490 14668173 11535680 17272153 13439323 13909669 4661626 20132931 19223944 19185139 14540573 10569064 10984801 12552098 10913039 10186051 9856753 7351748 6805080 8662600 10169580 15022618 10795836 12489298 15936585 10877868 9433032 12301543 12897420 8334043 8299809 10070232 6777247 6834862 9323916 9601728 9026001 14248042 15320868 12477741 11541182 4557604 9937782 14178925 12902274 2576281 10915536 11104162 14786434 12763083 13487362 13300882 18197586 9641519 9019447 11523219 Methionine sulfoxide 1063104 219012 433495 808627 900175 544357 1354531 675108 831768 976736 3337332 656090 725343 1463368 626518 699927 565602 913738 1536115 1910092 695933 868439 1514358 1277561 1094023 804500 507093 722029 2317314 804047 639993 1124828 890335 1213410 697751 1646868 578462 1389386 565060 907220 1190121 528923 470372 648861 780253 2093890 899449 778841 378211 395992 632737 433012 592980 347372 2430487 1961584 630422 539222 589689 530392 508076 537847 1235527 556391 705847 1862613 868703 528145 1500810 384195 733467 393912 755851 511532 662812 542043 1093748 540408 701580 749952 926818 364334 637823 675535 545595 976799 990870 672450 619125 662960 732818 1288525 N-Acetyl-arginine 954155 537538 913998 1189180 1644573 1631148 599535 994812 1198238 1186140 1282325 1575721 1206818 1668956 1501270 1365894 1427478 1789714 1419858 1612861 1048083 1287678 1773639 1838933 1260089 1152004 1475403 1491087 2568794 1235949 1222559 2097944 1732838 1948706 1446691 1565653 1185131 1295836 1248393 1501549 1505083 1384235 540295 1472540 1759358 1914347 1591527 1262612 830345 1028550 943715 1332792 1451033 1060744 1194303 1296635 1537634 1537172 1575763 1852355 1721605 1895020 1560342 1492700 1469232 1430218 1370215 1352728 905208 1172510 1141871 1040539 760709 1169276 1283446 1377873 967613 560863 1204532 1256117 1486371 305250 1080290 732529 1392842 1591398 1717024 1573445 1837257 1246124 1363103 1814666 N-Acetyl-aspartic acid 18498604 9694133 21128245 35820955 42568701 41721192 15221786 13564509 35866595 26167906 41882708 47473972 40751557 59544923 47041146 51670605 42599893 62871200 44850776 47849334 30977700 37536149 58220403 51801185 33498704 15851843 74678 30398305 78714053 37287448 30634669 52544862 40208805 52718020 33391301 38537649 11452878 42546722 17684469 46830982 48849222 35844471 13758528 106162 26682267 79406638 55918270 31500222 19854844 32852564 30869319 36970752 48066297 28732581 36805863 42440858 45324661 32783183 28330961 32807927 12114552 45268444 42180830 34536465 36461716 25537163 40431844 35496216 23895824 28622222 42671359 36841407 24526190 38886673 42755784 19935446 31024107 18881493 40967958 48567232 38561553 7998213 42400005 33082817 41838587 42923650 50975842 46242223 49235191 31700283 40307292 38311677 N-Acetyl-glutamine 863956 512499 990031 1032940 1176248 1258247 613968 902664 1088444 936219 1263642 1479878 1244482 1847147 1396262 1226812 1097625 1456819 1186354 1346590 965426 1162122 1615727 1712945 1414999 1461788 1250390 1386483 2581585 1262989 1225354 1729971 1276563 1486802 1302126 1330531 1221172 1346147 1701471 1483955 1387242 1338818 721961 1507390 2144257 2319147 1617718 1473834 1016113 1173011 1101125 1177931 1251768 1012457 1515198 1421838 1302165 1572393 1786068 1705534 1969856 1324707 1241589 1226596 1273482 1462874 1314851 1155218 1059519 1047299 1226826 1128829 953197 1261690 1352428 1519671 1120459 817276 1272221 1130768 1508798 488385 1255310 933905 1556658 1422930 1490033 1496425 1653273 1167093 1223603 1648370 Nicotine amide 210039604 129403048 224300944 256525276 343288507 354475079 164585546 210794712 289209202 259489083 297903188 345477927 321595495 387386445 333088872 318687875 310291282 341845678 297347639 346511340 246305835 269155481 362148579 354645866 312930225 278364618 345847325 310476947 527496774 302091614 271502200 374670912 342787916 368473528 331648955 346843238 277960843 292402268 299824549 332475436 338352961 342939969 165818129 407587926 373857940 456976127 355660155 282077330 233479289 297702775 296557163 307991372 312666229 270949595 290323775 323747072 306382395 306239124 314941985 327771012 363100611 330431926 317427506 306571845 322210331 297265563 296694971 306624085 228187124 251583063 288650917 288308015 243946139 308085039 329997971 356931062 277273671 172587610 303503643 333279084 348065467 105327287 312306880 271703719 348766223 316658112 360831068 343379290 367041432 265817377 298689896 373554728 Pantothenic acid 278379 130163 244825 477762 692659 452042 199460 229102 477831 374530 471181 653976 621259 854148 706132 490339 495796 659692 468771 535429 409676 442394 758257 733447 486929 414666 597553 519979 1127446 490941 428728 792847 626689 573027 355001 463191 431862 430770 424553 492314 580520 563898 175518 509702 678295 866359 705675 510253 300543 515877 378614 522822 526451 336513 375896 427528 450239 526788 406056 452537 431683 512928 580907 456245 524622 504462 540022 450087 346372 355455 508424 443616 364142 511674 628747 464293 441679 263779 451923 561621 521968 132518 496344 390316 549829 552630 564925 549593 693484 387147 475943 461612 Phenylalanine 9252476 3329966 5107021 11715630 15592621 16573562 4839403 7726631 13405293 13545290 13677278 16249423 19595259 29199373 15792923 12285799 11081725 10337372 10788576 15759680 9604015 9273652 15033346 17857640 18228432 22288345 23570345 27471826 39128326 15817573 11858449 22071560 19464980 23628231 13757926 29815303 17351665 22973729 14876818 24410693 20079044 19952563 7691734 30450852 28281404 31381646 17289329 14517330 13407138 15387985 14501414 12696503 13273615 8304881 11314215 14134403 12800294 20685314 13456328 16880255 22063676 13831426 13248802 16112028 17743791 14137355 10889345 12224027 10866208 9220019 8040411 12990637 12942550 17627098 21067988 17382704 17188953 4282425 13165139 21416487 18791330 4018601 13540671 14266246 18848884 17574895 17912443 16618728 23292612 12587810 11447465 15630503 Phosphocholine 414876176 196481967 244015896 431888755 618126073 386801219 199674142 309940065 537495528 446412262 327854909 514616942 556890237 332293256 483211988 537220374 544070482 333952940 434828166 564448338 438384879 364859160 345891616 439893689 475484699 249784989 394319883 14884918 372119670 309349163 236893327 487902263 359844218 362354971 103305898 88321297 467659562 54409398 377372349 489570299 446518641 390281986 86492045 577311587 552866151 401684298 353510114 448623795 490866145 434375132 354431785 508485267 408583587 250703217 218266504 126967187 434848660 310936796 374171752 517873241 559397433 436510548 428662377 594076930 486607472 193403346 331755799 411361805 390506459 328290461 356112900 471966528 578999462 474489838 356614493 601824827 421478871 213573694 252335411 212453666 475347459 67992897 356824282 510330844 579362932 521621432 536801799 564619200 385723811 327352241 328286168 507372491 Pyroglutamic acid 1827735 745412 1191816 2460939 2586617 3105142 815444 1986559 2031363 2141079 2578789 5046204 4043266 5642197 4132136 3757140 3075084 3134208 2694901 3018218 1914151 2170324 3612135 3664806 3703264 4059920 6941470 4041259 9290341 3354005 2478826 3826305 4307571 4549721 2208311 4221572 3813117 3329123 3866113 3730453 2725086 4548839 445837 8172567 5278067 5085335 4779449 2330373 2846848 5961459 3544736 2138678 2141651 1904131 1520786 1907980 2510942 4489116 3249515 3314969 5097521 3006553 1807668 3690595 4960207 1992449 1673847 2561922 1115311 1624122 1983324 2528083 1955707 4409074 5642851 4781542 2165538 1270987 2563170 3107753 3478854 560834 2336420 2104855 4587591 2834427 3879678 3535236 6227114 1062961 1793574 3452708 Serine 2562130 1953449 2037628 2759990 3086876 4127655 1814591 2244465 3022831 3293926 3732907 3639771 3695161 5023997 3447081 3170503 3291504 3286170 3433265 3607134 2442960 3053565 3680844 3462516 3423590 4589455 5301709 4972477 6385233 3423164 3081423 3728910 3873321 3918830 3372323 5071059 3430973 4077023 3472310 3868943 3777133 3981225 2240109 5685489 4605257 5039626 3862612 3047664 2509980 2830578 3193361 2603697 2897895 2601951 2824451 2675961 2808068 3543771 2306680 2969791 4589771 2938937 2695534 2873473 3241440 3488523 2850931 2652008 2233112 2493331 2773826 2754604 2249130 3061434 3386029 4200162 2805559 1728804 2730672 3676940 3075620 1359963 2907558 2834022 3401449 3219288 3482534 3098469 3801709 2604692 2688682 3378945 Spermine 1222407 446599 2222904 3030359 4203400 5226475 1020547 1128759 3362075 2161776 964130 5989016 3768563 3930157 4582658 2080870 4372031 3883628 1753445 3557749 2492969 2458338 5050575 4927451 5395789 3702781 7696071 3622038 10005300 5442644 4279276 5496222 5224671 6147951 5652032 3682051 4836327 462549 3972481 4581953 4103684 6908638 471588 6675189 6085992 6809278 5475719 4386304 3551646 7864485 5933064 3900979 4843887 3814180 2174244 2906083 4786134 4683254 4702899 6222645 5310437 8429149 4064884 4855707 4707359 1878401 5120384 4941430 2099595 3847711 5270850 6814896 3426150 7215771 6211965 5000752 3851490 2629038 4950503 4696430 5649274 316154 5094679 4963361 5892877 5134652 6667592 6641806 9041756 4066636 4311008 6519568 Taurine 18599267 11407881 20714896 30410355 35505748 43888553 17496682 19904849 34093706 26232053 30512720 45189557 37798076 49299430 42543745 46721782 38035777 44456264 34263163 38694363 29267544 31152453 42020978 42711394 32888758 30435524 47476768 36335263 61284113 35898076 30621832 46400558 44010267 45245331 36057218 34845845 30498708 36717173 32621803 40626554 45110152 44852642 15652587 46687820 45616590 60732301 41962796 25445398 23168540 34357475 30958292 36030794 40583503 29793563 28785809 34467734 38103679 36347843 33241549 33702766 42424370 40156625 36491461 33801913 37635672 27853837 36475569 35650213 22284759 26676096 35432762 33026094 23951945 37955412 42819383 42736067 28703392 19447878 35542620 43598110 35925215 8948826 37247907 29933381 41582968 34829967 44307205 40520035 40524551 26825511 33736398 35316348 Thiamine 384464 193050 319245 483513 678358 1477572 319541 326173 562460 656193 961358 1130833 1046991 4102248 1226691 458457 565904 637782 385785 739589 643118 531216 1798059 1317712 1086491 3304839 2426327 6086832 4693196 2098428 2168089 1909553 2446285 2689361 5984611 5974584 1340103 4487799 1866788 1714069 1510401 2102906 2163701 1478546 1693355 3283261 1540045 1232832 635238 1390618 2502212 866459 1154221 1507512 1961458 1001356 1002567 1994096 1352732 962389 902302 945884 1198385 989584 1496654 3441538 1223252 1108503 815383 838852 1256859 905700 754300 1755689 3223353 480571 1732543 643095 3033708 4499819 1402275 615382 1314387 963051 1002724 1091163 1280144 1093148 3266370 1137364 1452687 1331432 Threonic acid 1067345 215691 1089974 1195249 2224927 2772680 2317356 1148555 1181421 1933877 4482528 2003040 2732611 6105300 1597179 983376 880148 735321 1579741 2398069 1331862 2103274 5949177 2549439 1544267 2651153 1918976 2674922 7332723 3858852 2939520 3569700 2182640 4720444 3781971 5673128 1610184 4606364 851906 3290968 2003984 3090965 2212956 2810593 2363171 8167619 2020364 1932123 935710 1532244 3238046 1324394 2548051 1334589 6171333 2985455 2053340 2462910 2026309 1395268 1346480 1640542 3268481 2387075 3647637 6594992 4654729 1431065 1515041 1658339 3584318 1029290 1318853 2179930 3527377 583220 2023867 1298928 5109618 4263916 2566163 1202407 3358442 1614723 1699588 2199757 3386186 2363721 3467377 2093211 3378843 3834294 Tryptophan 105593 41961 59582 113195 152200 133996 53359 72503 128102 134050 131900 157099 159075 237332 150230 119207 107125 119226 101320 148583 90637 89784 143839 168345 167269 203925 206637 268108 296932 131401 106699 254780 175555 181279 126664 257153 149093 186509 116240 206112 191676 161361 63988 259036 239469 230598 164537 139301 118056 129103 119555 126763 113438 82551 95825 142361 119408 153001 121562 143713 221929 136002 143393 168342 170007 122056 109703 154861 114725 91897 132705 144184 138405 187013 207192 214373 191199 68942 136007 207721 211456 37054 141086 136278 199588 181822 196722 195021 247724 121942 129286 171509 Tyrosine 4462545 1747313 2516783 6002939 7618572 7547857 2749507 4007407 7534669 6191452 6411042 7461689 8825527 13105620 7932827 6047787 5866032 5714981 6564472 6886966 4697562 5009275 6950627 8325817 8308081 9352612 9366905 10919242 14106262 6731575 5371943 10641870 8770871 10291812 6649245 12138871 7494824 9662022 6532086 10466663 9104970 8640577 3497966 11378222 12114922 12930438 7537224 6427784 6197387 7033119 6966226 6402426 6518064 4844184 5496129 7595771 7376667 8387147 7042605 8069341 8798656 7245518 6956434 7818490 8616675 6418261 5500580 6787275 5671693 5084518 6492601 6876796 6188237 8956291 9553963 7409665 8157895 3319389 6115406 8536113 8304849 1788592 6829837 6374052 8661801 8805696 9150919 8669053 10862506 6603329 6563061 8259115 Uracil 1015912 220186 544078 1161414 975800 1216313 544297 1942338 1121453 1588139 1605801 1368534 1708699 2455533 1597842 1974477 1161616 1663648 2333487 1397907 1202850 1228055 1825440 1330934 1697291 1450831 4343302 2242274 1591168 923429 1066753 2142830 1730411 1830192 981068 1497211 1536253 1510066 1246956 1411431 1183697 1460853 239431 5125073 2745736 2792039 2120274 1333871 3043647 4437075 812609 976203 980719 716816 1044893 1083107 1187325 1158223 1797728 2159129 6528817 1177319 1058681 3492481 2989423 1223458 1033036 1503034 948199 803006 1336329 1302853 1170356 1387226 1644102 3489370 1624088 820650 1494076 1609756 1782481 474700 1343168 1180020 2444856 1284370 1763412 1735363 1910934 818738 1103839 2327004 Uridine 4541907 2206691 3689346 6463264 7898626 12231722 3275153 3231933 6810918 6197112 6788826 13868242 11890459 14146442 13947566 7925626 7091657 8278692 7257829 9012979 5669428 6989815 9225278 8166217 6816335 9120155 7465609 9900054 17720718 10010981 8187377 9566379 10182123 13614584 10674947 11705121 10027907 9637678 9260520 12416622 10198455 12703525 4483138 9340715 13914597 12180193 11211198 7846263 5709385 8580051 10281494 7752202 8012454 10379098 5789627 6347253 6676885 12413490 8300594 5959016 5025559 8618741 8221908 8368169 9386005 7438920 8080305 7002621 5299720 6066086 8029602 6993808 7763969 16306703 14347836 6892920 8425565 4822640 10200253 12306335 9822681 2217541 9100944 8637761 14636908 9691153 11369490 10367241 19313326 7630603 7622442 7827650 Xanthine 801756 307077 397642 1006208 994138 1117203 250271 406353 1005490 1010447 1005780 1026256 1502768 1224645 956770 1595408 868695 982983 1234989 1187041 758783 923713 1401567 1266104 1320772 1347482 2422901 1531125 1970550 1218216 894435 1465587 1907743 1546077 512512 1237489 1592231 1421341 1552961 1332403 1489055 1624941 302136 1935522 1847953 1887636 1886119 1320051 2131047 1959254 951251 1063818 710367 530295 626892 541704 705772 839634 575720 1095182 2929687 1112875 745116 1945240 1565806 608240 925968 1027545 767992 719690 926622 1150825 1128300 1292124 1486972 2565640 1602369 581695 1280803 1387079 1293980 349204 1225236 1216682 2075365 1530696 1766632 1851292 1959823 1349713 926861 1125053 y-Aminobutyric acid 77134792 38307470 71939673 95547196 105532959 88242424 48636731 76985525 94072276 70415292 72297975 121170157 119360024 130056972 111405376 112372470 98915099 55451365 99408995 110964436 80410742 93147584 125179924 161615045 125557376 106224089 139606869 114048864 264672766 104319105 110674879 154178383 114273215 127973079 92821203 110173763 90092841 90851648 101180538 110335978 118300770 129307759 32681849 145982998 152267970 149063613 152400681 97558034 98888628 120130648 86329918 108948629 96771896 77029535 71318625 85495844 104341181 96924193 95434652 126270038 141036672 120655150 87269963 114837522 92979878 92692802 87018072 98025049 69435616 72607249 88903102 106481819 88042971 119399526 126615108 134414329 91792737 68780732 126377733 109180877 132164380 41116370 109058908 51524605 141847493 126309905 135023424 134313791 148647528 84570661 96715886 136541466 12,13-DHOME 116783 290512 110324 212779 201068 175651 186192 64659 281087 604702 3527421 13132261 201519 103523 1482859 172243 167478 219711 108450 130977 178375 480603 4204695 19856878 203619 171257 150799 177622 95495 190717 2722336 99374 109727 354496 2935306 33412064 178034 118387 155460 192705 193708 190540 179836 174552 145432 724598 2745154 30084589 122016 161382 193187 185873 214488 149102 204948 193815 58123 434424 3088507 23631513 175280 188423 91415 110607 63888 178482 77127 157227 155062 478567 3335769 24494290 2057513 155366 82398 1934008 149979 166744 174146 213236 132904 934032 3433732 25505321 127729 208595 115990 222215 133730 167191 100075 129760 2-(hydroxymethyl)butanoic acid/2-Ethylhydracrylic acid 101400 24564 54176 69372 127967 70906 35259 72877 87923 113015 192602 71411 94156 219530 63315 54582 74435 67891 78522 158012 109370 75030 193807 127760 88520 105659 53678 167784 194345 81321 89709 197709 66112 112595 88754 199839 69856 195281 36865 118366 121504 51969 77077 80683 97510 199673 67762 130236 48989 41898 94564 109397 123888 47308 216988 146354 76715 57791 73275 74443 55549 77423 143581 77793 79682 250490 92653 51632 76005 60142 111636 68235 93133 84571 130986 54619 144051 40473 60340 193268 128522 76631 101820 98128 48720 114606 126226 87173 118402 84780 125705 149503 2-Aminoadipic acid 39254 23382 42437 60729 74260 89232 31029 25931 78852 47592 59615 81627 79826 136324 88290 46216 55204 61655 54879 73848 35952 48587 69183 89619 79822 65023 55166 67997 121391 64976 49488 109052 54382 79073 72710 99263 37022 49551 44989 85291 88193 78437 22991 54154 105923 164957 88524 58999 39818 50705 41816 56099 50072 37490 61801 71809 65087 58109 50095 65075 36366 49487 67754 78686 76895 46579 56841 62787 43093 48905 77363 85193 63046 94880 87678 71652 73024 44593 52642 52437 65634 12629 55382 40747 70464 56268 77159 74275 74496 41794 54063 66135 2'-Deoxycytidine 75983 34915 71997 86369 99465 323794 48719 56312 94013 118907 170900 65598 200348 643809 205772 144774 98667 71162 72976 128075 69685 54995 138339 171819 127451 381722 433167 565565 680972 251451 245062 153513 212106 276929 709888 686372 138676 432586 179890 219850 155870 325324 188259 366523 274448 251920 122772 93984 40761 226573 377658 93390 137359 123461 143907 116239 98531 470974 101783 139939 49581 108721 135682 109295 208635 300147 101160 153837 97916 88505 106987 132072 97298 225533 468838 187095 172601 48553 261576 536230 149222 43242 111587 89322 101856 111671 162234 147004 473317 82453 105338 138822 2-Oxoglutaric acid 7914 8359 6939 3820 10286 116569 3407 4573 10815 11966 19650 135614 88694 46565 33337 33132 6785 32920 56386 25583 9654 25114 30593 18351 7005 48542 7785 24407 34779 40436 28448 40304 6683 23208 53237 19048 32980 13652 6916 45126 16405 87185 9627 58104 38630 28565 43860 26694 27408 43747 80023 3452 9563 76365 29361 15046 6988 81389 24478 65502 4763 3417 37343 77671 106954 5585 22016 12165 4788 15284 26649 4385 3364 102177 114815 3381 13248 19318 32284 97072 8805 5811 38202 19160 36885 9321 41171 4588 158146 25534 22093 42713 3-hydroxy-4,5-dimethyl-3(5H)-furanone 173367 93292 123498 161953 221229 223392 98779 101834 144747 184787 186830 460046 228383 282974 227419 191535 229809 180765 175773 232221 163043 150415 176426 219700 212554 132015 285391 124511 395036 125654 137082 199576 217386 162513 192069 257232 175875 170489 193331 189549 185725 127059 117076 163443 169543 204471 139469 141671 113755 190963 245295 92027 153759 234538 171040 130139 137486 398136 145524 154712 82147 136910 133549 188241 236281 172865 106086 164907 95753 114302 119633 153536 96072 298128 235325 149943 115109 70994 112510 114511 106873 62965 92328 115918 127542 124332 132643 144484 252681 84321 100712 158466 5-Hydroxymethyl-2-furaldehyde 306466 387509 264845 518656 921145 455161 81633 271369 945020 317335 307460 343453 742404 335083 40983 394202 950274 416598 497532 566227 630386 424166 784637 1142647 1167522 589881 880171 383633 334085 172707 317394 754850 918425 324660 228817 720405 189058 580029 161767 226839 916433 217241 223093 461888 65482 375945 505545 472524 648114 858729 887314 925012 961828 273001 334745 479264 973825 75871 80243 1181249 606526 1212985 387299 1159809 1381667 270403 330146 528566 543614 521220 457454 1046018 349889 116393 514215 837080 464175 304786 508559 627361 442836 70968 416259 84962 122488 1080856 708599 932090 211395 427712 282867 679403 5-Methylcytosine 25157 9294 17673 16950 27673 29730 4963 18555 22532 50262 117510 23409 24071 73105 24845 22251 21245 55832 674096 72858 43052 56616 134393 50554 51460 39229 30522 55858 116661 44446 45731 80509 36570 73116 68384 67919 19114 143107 81362 60170 47408 27962 65775 18641 35473 105540 41228 68722 6987 13911 25018 26532 51775 22955 83031 34745 22676 39722 34016 23752 10033 24374 48603 12499 23212 96873 54763 21867 27446 36464 58016 24079 23100 36398 48604 7478 53388 27280 62740 80357 53380 35050 62372 38739 24615 46187 61532 32791 50060 46536 60069 84403 8-Aminooctanoic acid/Propranolol 176632 76767 125634 123961 224818 120026 90794 96088 135827 211939 259590 184516 203703 303630 149984 151119 152009 175204 281833 202873 125305 106777 208731 223740 136299 146768 162212 203695 312058 131298 123340 284504 187473 212485 187559 223444 118234 323700 135384 250574 217029 122979 131136 180456 187669 314437 165877 175384 102753 117637 111676 137940 218053 89979 262492 194381 176053 124985 153912 171689 138134 134628 167479 131240 164130 283951 116233 130696 118352 104743 113393 101016 141159 126628 157287 138924 200628 55067 119950 210487 220612 78705 121593 103602 109487 143941 194203 163889 146243 107334 138129 211813 Acetylcholine 173806 43330 133115 74824 272712 44377 145848 53680 128683 226104 812161 655 7052 9300 5355 32833 99104 564601 2603376 376610 180078 351496 213805 40625 33460 7755 1683 4566 15692 54242 45194 13011 35176 106286 43765 2949 9206 48613 1896 6485 2387 90817 112425 11202 958 168612 96972 1761 8352 4436 9302 19910 30481 1010222 724812 13915 22620 21685 65311 18967 4792 40459 7709 101011 6765 664820 970157 24538 19819 135145 1033293 52940 20827 12032 3986 34370 21302 256213 473121 8358 8921 435577 202337 9350 15930 16578 16258 27474 6079 291419 174446 12490 Acetylhistidine 380911 52865 47814 70369 168414 53655 28541 45211 133519 71127 91507 91095 82504 308076 119302 566809 55498 64991 80173 129668 157488 63024 67336 95730 149671 59736 60332 60093 102404 52923 53485 60772 77517 61506 48968 69994 338223 163061 71363 80797 60370 59039 32366 92701 88499 80253 105086 70215 208473 47198 45170 67261 62854 83499 68067 85783 98820 51374 73343 66495 160947 44481 58846 50373 41988 128818 46507 276339 55823 602684 52584 177596 154793 67021 61453 60655 57160 32849 51565 56021 400956 54230 45577 102429 73338 60030 67274 61658 60302 87785 49679 51408 Adenine 5342222 3636644 7130161 13473045 21271730 24098434 8735839 11051311 23597580 27640218 34475788 25779790 32020988 19786094 15963464 26158718 21010818 36452576 68026632 17478488 27408738 19766336 34554208 15940695 15746137 7599694 13592602 12580053 19299360 11700453 12821381 28730262 17823026 19331720 22706404 14479696 4438169 22326988 16395659 13168150 15647101 14053531 13273504 14266089 25564398 31415154 35380452 35850888 5380326 27861464 26073266 27384842 34182020 24588576 31019176 25208928 26523374 26381306 18442878 15962145 12787188 35806060 36458992 16482461 20631672 27450100 31614102 29556912 24598242 24773636 28032070 24685924 22549944 21119178 35826288 21835366 38287548 13511152 37450616 44479896 24212476 11628336 38199232 34982552 22194812 37699880 11418075 18658276 42891156 40055788 33509404 19603094 Alanine 1868820 1286200 1881665 2852812 3033325 4389499 1578302 1974295 3192986 2631658 2831138 6210120 4963710 5468001 4364925 3787468 3173039 3667967 3180128 3819539 2458316 2628380 3500773 3768670 3742449 4452651 5521463 4738737 7716812 3416687 2851572 4477319 3636110 4279550 3668640 4891676 4098829 4055033 3365724 4622599 3462490 4141672 1447335 8143842 7270553 6157638 4453904 3122963 4869692 4420952 4566331 3119345 3379461 3230560 2790237 3140461 3250666 4280861 4023053 3339989 5636905 3600634 3137402 5922057 5473974 2734844 2804496 3399460 2306903 2537183 3424170 3236145 2779432 5862387 5112945 3498912 3055262 1748888 3431436 4997283 4011491 1233365 3299448 3755445 6233490 3574873 4203838 3654915 6401668 2267963 3072092 3407246 Anserine 160625 70629 149822 198173 254530 273128 112145 150643 223915 188594 183607 273899 253286 376756 275737 242493 201381 226896 164926 195693 188420 175495 293670 330892 232863 265969 321130 295392 598875 259233 237592 330970 252214 290012 262751 258174 209036 213435 211863 239523 263012 277044 105263 422216 325592 409835 210509 166519 161119 240913 181579 195585 255276 192714 185469 213772 242555 264343 262864 275775 312405 250999 225280 227148 229331 245407 179553 191088 151705 158413 192692 235786 186362 246740 295322 345309 207133 128802 255719 230166 316835 65080 232803 133940 271336 256426 290696 285947 262580 189233 200432 301135 Asparagine 700189 568329 548103 795261 889427 1191217 557568 611334 804231 979644 1025085 917366 1097801 1629857 962731 867836 951635 991124 1184969 1162346 750836 932662 1291426 1023951 979631 1759255 2042353 2526479 1896703 958020 962488 1202683 1156166 1288453 1219037 2222846 1175315 1939763 1100997 1281439 1084896 1206329 894806 1941781 1470482 1431490 1088103 924681 824780 880171 1021891 759719 821375 801319 928807 793556 852376 1141858 904700 882980 1456124 901661 800305 889883 1062312 1171665 876442 790687 793190 755193 795087 785237 692432 893343 1172567 1320754 993168 543595 929656 1475097 1002466 634468 884893 859104 1086597 1001322 1095864 1002297 1373913 938147 864869 993857 Aspartic acid 5231301 2072687 4280547 6002081 7586293 10041563 3345364 6357415 6093395 6700481 6203738 7946351 7182153 10264698 8645422 7556510 10395326 9545771 9920954 8969958 5917835 7400491 12110601 9106896 7460999 10372171 24670146 9226939 14490616 6646008 5924914 11200697 10538922 9167738 8706150 8468503 12021761 7012139 11809850 8402487 9775646 12093659 2826010 23899756 14956136 12119050 9661676 6545599 5207366 7040498 5977110 7069671 7080575 6913403 5869210 7308175 7666208 9503906 8913095 8858123 18446132 7875383 5682105 6345115 8755029 9124435 7189582 6817985 4986525 5143339 5717209 6539950 5129376 6155356 8020098 17604208 7547873 3787249 6610309 7779633 9005391 2127795 6184179 5333501 7843138 7949251 10795509 9734757 8815565 5801120 6523232 10331866 Benzaldehyde 133894 160315 186998 210123 401931 222873 180956 182587 190434 240151 268385 123262 192329 593048 258628 212082 269160 229433 244214 465117 222031 199416 317823 137422 178670 232822 310297 379609 625524 313716 304434 555197 243101 268227 238830 281516 231460 474905 272559 390071 329087 265472 236831 283758 279555 577330 274621 275449 196727 356553 405529 408615 420491 294004 598697 569270 306991 313847 238949 207799 200821 214846 684800 373251 418476 641532 307948 251088 241145 280003 262367 199278 155612 167311 263040 213482 312058 221055 442610 438856 251654 241883 178738 181811 161730 192923 251752 189071 194615 280997 264617 333993 Betaine 18118552 9806714 15133461 13296409 17910010 13915448 6634050 11799609 15249551 16825766 29472368 12394924 14934304 16278935 12624493 16769826 12488608 17962660 106462432 19167010 14674628 14435855 20393130 21481762 22607134 11574689 16255602 12764128 17189104 12302574 13581336 18654894 15003105 15333454 17378950 13923906 12460613 20008912 19864116 17676706 18715712 12935708 12829133 19427234 18851718 20155282 16594992 19715434 10683555 11180474 11946464 14439639 19825588 11608023 20940250 18979812 17048226 13390248 17442158 15952814 16941234 14686041 18473480 12544394 12166159 17495794 15176505 13151712 14408756 11475468 14302917 12229003 12216460 11626009 12021430 16936090 14271236 8621685 12616067 13009567 15368157 8002284 13083380 12546917 14215323 14222334 14116587 14041564 13138180 13180453 13195423 16894062 Butylated hydroxyanisole 3355378 1708198 2339411 2917982 4989412 2823727 1694388 2997047 5704980 4457645 5999461 2989732 2563273 6503837 4107535 2579756 2593213 3265888 4920948 7131091 6202323 3292170 4732941 3688344 3834356 2406996 1212227 2518521 4677751 3116182 2680186 7310834 2593700 4058161 2427014 3850820 1910422 5066370 1658543 1462851 4194680 2716120 3221554 2483743 3625043 6146694 3291765 11501943 1453057 2121278 3781446 4707350 4662264 1568473 6168473 10168120 3530821 1075581 3194038 4099747 1902685 4565025 6530102 3553006 4156859 7453859 5084994 2636796 4308579 2865028 5795365 2822966 3054683 3650154 3783539 1905861 1824497 4148453 3133172 4786949 3694144 2074501 4510487 3325156 3486490 5452988 6655612 4998994 4374250 4066150 3054062 9906271 Butyrylcarnitine 43416 41468 86537 102701 120242 104336 44458 53667 89084 74264 68157 109812 74743 101027 121320 104210 220693 301064 176338 230079 108925 230783 560266 123974 49165 37172 138133 79682 367905 78017 52346 242035 77894 86585 117166 107969 89990 88450 90255 128253 133333 118736 334877 90486 156036 163389 114559 109189 27114 104365 100173 346378 199819 174594 80122 96744 108345 105408 74816 86244 93376 127391 151624 230085 240935 264297 266229 115124 107214 98235 112115 141883 57158 122559 109043 121409 91870 98257 99294 98187 132546 30340 90104 67391 118247 156299 227419 235081 117900 131668 104409 171380 CDP-choline 102865 56968 121080 151592 236623 103892 103816 103294 214576 114973 154571 103177 73143 83291 45877 190905 271984 268621 269012 289547 176307 229289 282186 203935 163581 3330 12513 673 2822 85317 30700 267874 137759 30513 4099 17914 39792 104830 48443 22998 173757 93425 29720 15362 43463 267906 205819 178284 63807 78892 2616 234781 223473 60465 183682 141930 193122 24405 37938 164468 83684 224716 220912 81796 25894 148696 234427 154558 100587 166467 199890 168393 110660 26492 14953 247453 123409 121749 148718 91910 175395 55352 182290 66020 77430 190404 207266 243757 2716 180321 234227 237444 CDP-ethanolamine 53167 37995 73409 86549 124802 80138 50836 62052 102466 74590 101273 83733 60475 63630 29117 114991 136997 152396 128622 108920 99190 110173 137825 126204 97187 7847 67406 13262 12215 46195 29922 137775 106064 28642 10433 13742 32728 44072 47829 24220 115468 79308 27145 56647 35926 156040 139064 93252 84475 61281 37152 121907 125934 43147 110688 113130 124929 32959 35519 112122 89116 122553 111167 83522 65979 57155 117015 98477 57636 85719 112723 99980 59770 24417 41740 112636 67780 64036 90823 49205 95254 22920 109051 35680 43990 96463 123820 126235 19585 92973 112727 124639 cis-Aconitic acid 17647 88721 23393 167530 458844 144329 5899 53275 567614 32718 9646 302543 192290 13412 58950 276589 811669 119666 93386 76647 221687 50618 49425 472460 586253 65374 401707 47109 50846 10403 8170 286081 455129 17874 11142 12467 84656 6246 140824 12744 517245 68339 548 206356 75352 75334 83125 137293 343181 515739 186253 712207 675094 113826 4939 44572 526566 21056 57289 850542 732033 867669 82096 527107 480106 1031 32128 435324 67637 153324 65724 726669 89002 76247 97228 1116066 96264 76045 7052 30140 206629 2648 81032 55436 178602 468765 331525 406876 41913 70076 64016 158372 Creatinine 96448 45111 92859 103621 139801 138893 61260 101185 133445 107776 129753 164526 138433 204093 156200 174688 139318 183543 137104 160302 114040 118267 174311 173353 143100 140471 177114 162743 306230 141599 112271 209426 174733 181916 159084 173565 114638 130148 128604 169427 184131 162428 59696 242743 210865 245131 182156 126215 96583 124346 112789 152131 156440 110262 123766 162633 145016 134395 153423 148576 202206 142776 155473 155880 161390 142826 128288 133053 91626 94774 139147 130631 108773 152456 171487 189917 119147 71342 144177 158696 192252 39414 138006 112896 167596 152705 169563 166427 172489 105453 132304 177101 Cystine 90738 7686 95754 137846 22764 349670 202132 129473 4421 88071 109026 4497 217270 444781 6726 3232 6156 223042 174972 66991 6825 111054 288515 154251 99726 457683 655183 838764 530858 923863 722716 164294 184504 431953 935890 492730 104178 252456 3547 211142 117162 837004 553117 598091 48612 405852 220632 70834 19095 388255 402113 2263 10261 21779 95658 19854 4004 504558 1418 22214 58610 38186 22509 129408 306060 303419 242300 397 13176 70917 262393 29885 1737 81737 404699 135732 44460 122202 968113 315355 13180 70934 170505 1773 5115 41993 195423 96723 259059 22242 118494 258737 Cytosine 212776 126561 199221 217068 267283 233672 136511 189106 223175 277037 365332 219528 191389 280895 199977 244836 225403 280008 2339358 275477 254522 264283 420041 279497 298411 178339 223695 249264 260269 202120 221451 292414 206611 225239 226641 263324 180999 383683 372668 266285 287207 205918 246595 224081 209003 312007 265071 333435 156355 181589 163404 225375 374365 174559 345615 251252 232586 195982 226617 216315 213031 212727 266491 224957 229021 302226 268738 215369 223166 206560 273237 231446 213673 210507 188077 213393 215549 177358 212083 263638 265021 209364 271416 192902 195972 256842 268159 260216 196141 230322 261316 280974 Fumaric acid 63061 28679 66502 63096 73784 157121 38032 65545 87327 76893 77681 67406 54146 49348 45602 74550 171492 152850 162930 136778 86649 128891 144403 153261 100210 69471 115622 68674 113555 86968 87888 210021 129697 132087 148750 79116 59431 109287 118150 62278 185253 153455 54146 229533 99493 211553 151877 104874 109487 85198 50176 57818 77645 118989 86878 55951 62440 35731 147280 83126 125054 84328 108373 168728 111556 92968 101024 69300 35421 85287 75785 66179 61454 77323 54007 107243 113629 57872 82784 89586 115978 24331 98218 89240 83454 133960 155254 107987 80911 101117 230960 148959 Glutaric acid/Ethylmalonic acid 235634 157847 192712 179709 363658 233877 120137 152421 215507 267312 371370 228917 257815 596529 258325 188350 223012 233508 191133 435108 248935 170556 426727 330229 216780 229402 204902 273383 482025 229757 185925 382487 241851 203234 208529 427286 148082 427671 180640 288691 329582 179270 165703 180528 260181 412185 197578 326244 181021 207634 288596 248370 305733 191813 387184 342659 219558 169858 164005 239930 156122 216140 563244 209160 262838 504998 202152 176192 168924 139817 211779 204824 216726 243085 328669 142446 252986 155907 226774 372611 241616 164363 161962 204672 183443 214447 304649 153515 218543 191424 219723 341289 Glutathione 75022 199052 199591 579670 645404 289497 131187 242998 1606410 154614 96199 424669 176130 66528 243191 427697 1901017 842583 1309473 229363 596016 598966 44152 153547 197172 40973 87466 37390 26991 33063 22997 297011 240329 33303 32605 25777 127557 31747 240109 99165 380337 242935 10056 197133 306510 44902 231632 433250 225748 255795 159024 3443237 2509735 429274 36742 455179 1337363 282263 778191 1918865 279021 2114443 761351 228467 172649 12340 147730 907327 496667 1212008 356839 1667395 399529 449517 163708 1991201 456874 526303 30684 125725 577821 14201 490241 648930 364271 597426 556270 1038409 271550 805879 388329 202831 Glycine 770175 515317 591101 777530 906478 1134419 559518 611499 784965 846367 843749 1048147 1107834 1452142 927284 879219 788716 921055 845810 948282 705391 827389 1048601 925245 934773 1213340 1378143 1467987 1883200 1142707 965210 968869 1121988 1305422 1197102 1372103 919863 1012667 912454 1005061 913384 1326771 765545 1539882 1222044 1341903 1181164 752204 669017 1137618 1086474 743958 728647 837192 615807 587063 726868 1071008 855691 815046 1024628 778868 786465 902623 980271 966867 707970 737309 531309 605388 851361 703653 702859 1112213 1323459 987394 784385 494481 1124028 1045225 993771 404471 814409 730083 1024530 870075 935134 863449 1350917 611736 700460 920248 Guanidoacetic acid 909035 295870 529595 606748 781880 791332 475080 469893 552182 497629 559393 752529 450471 525407 595620 1276439 587799 914800 84995 1022375 628028 725588 959187 764505 562875 463739 496884 552737 903550 532304 488271 755077 542253 689133 564282 595039 506345 373397 597404 463324 521686 557225 224069 651595 761546 733306 772098 507993 379601 449080 423319 613863 527462 472836 621800 987188 641987 699909 913068 655440 826383 684988 959486 584942 559521 887116 752164 843228 593670 535066 599753 448715 784121 465384 531125 595380 460897 349905 615595 483643 886170 193552 696596 634443 789715 692365 848510 718183 580811 565133 645190 1016016 Guanosine 840415 594379 1157665 1352280 2154012 2494080 930138 943977 1573504 1150835 1367970 2517446 1718846 2653541 2385026 1615593 1979172 1715762 1304768 1761684 1429663 1164558 1584817 2200280 1578744 1423812 1319892 1505984 3266947 1909838 1729339 2039700 1645822 1815345 2458562 1687399 1069517 1118817 1370034 1900689 1996122 2169788 1203156 1842144 2006353 2092264 1475657 1211228 229674 1207968 1842953 1704719 2057206 1926413 1473127 2023894 2028504 2181140 1977421 1754086 384847 1838785 1711237 1080922 1683472 1197033 1307607 1608140 1157987 1313381 1502083 1475643 1232431 2184405 2041569 711496 1144386 807215 1708745 1668499 1883238 315380 1492810 1257399 1535962 1477737 1726120 1751452 2005850 1003227 1589585 1524496 Hexose 50162971 38372931 29447828 38641488 60719089 40271813 25504530 33720398 55674523 54071309 50650885 47683311 45881438 52694457 50538488 47581526 49074786 48361620 51366114 61324432 52387605 52523305 53583628 47736595 44166039 39757869 26258652 44082649 58635065 38749795 39501151 55423901 43982194 45392171 30964661 47548847 39465052 36371060 44533176 49482905 50588374 43931598 34081998 43435363 46289374 46646689 51308350 59946417 42684229 34767013 40512540 51047456 44408941 41446457 40054766 43044836 41042700 35358960 43396216 38653306 42931176 50087764 50964830 58881110 48066954 54529293 45781646 41018334 49207064 43666366 42184998 47382296 52086354 50987165 49583086 43169541 43494605 32404669 42895657 37945236 53913782 26333756 48051454 45528648 46695909 50741928 43516969 33054048 50956527 47029150 42443549 48148993 Hydroxyphenyllactic acid 99667681 90979926 76954405 77534286 152142577 24265504 64151319 24599947 150260906 47211870 60532131 42583810 3194827 3152454 12117657 64050224 128462021 125133027 145155012 129994223 104499592 140774939 106707744 77640787 46604849 1248012 4779428 8306304 569806 2405548 1814479 121781707 76798059 6557156 448890 829318 6546196 494822 40605103 4316368 141266013 20035125 9312879 19540503 14742326 31572171 67631714 129668477 16158118 25879397 2085642 145693956 120109217 17082392 116635282 102288417 107887560 738485 69032560 64877974 16969271 150233035 202306836 3455011 1480342 1542483 188311153 156717045 112246466 138416956 84062019 93262021 79863284 1067206 534528 27808081 44016220 67441009 3496838 526987 92036135 38740069 86888323 46403153 4485150 139370028 80744109 89853864 503273 162296911 126777276 75940605 Imidazole 10064058 4416490 6023407 10800333 14845400 8337423 5424579 6028235 12755321 16314193 19636790 13845971 13072539 24429794 10695500 10381063 12087834 9243765 13514938 16686053 13969642 9776332 8584045 6748637 3120497 3740915 2392612 6711533 7338983 4005511 3963368 7217211 3335847 5533334 5597983 11108142 2439067 8215076 1669302 7670917 4719560 2267546 3881812 4459856 5147898 10658105 5237399 8099635 2372200 2305305 3735372 5635458 5943190 2409215 8204103 5174180 4094890 2928802 4314668 5331454 3064759 2526572 9589869 2756998 2886452 8375966 4502530 2370017 3896563 3699410 4856388 5044765 3656482 3919143 4663786 3202329 5150948 1455525 3632521 8112320 4466324 3582635 3431877 4281819 2952168 4009177 4705226 4201331 3624831 3673145 4763516 6021088 Isocitric acid 400251 4571442 574465 3489259 6141958 2278454 270907 1184451 9389557 487513 104153 4120233 2891384 106851 621175 4117720 7964022 1402824 606823 851118 4480747 1093760 418118 4911619 6561164 1131747 5896375 851667 216875 164151 129902 2900136 5272484 190925 133019 124173 1405527 110205 2340042 164791 5062606 844135 27884 1782665 724716 412371 1101975 2610797 8504059 9853787 3844542 7338277 8643617 3236115 87466 585558 8284258 303626 658597 7625792 6032121 6076846 1344117 8614267 6243663 22086 563162 6971576 1909749 3216549 1135591 8690903 2460014 1202229 1579250 418320 2286862 2566089 124459 347719 3153054 99428 1394729 1149575 2609117 6518814 4370201 6069049 583701 1795948 896708 1324024 Isoleucine 3358115 1258938 1821013 4359764 4814821 5210455 1358980 2427419 4175604 4384088 4662063 5459997 6607197 10721200 5091114 4270686 3596101 3081105 3935602 5236078 3104871 2678378 4720933 5785635 6378070 8541839 7749770 10307539 14333998 4742229 3867538 7173356 7032363 9053354 5174601 11871693 6173983 8941075 5209252 9428053 6824041 6147045 2506908 10203311 9571858 9937219 5199607 4513332 4898084 5343134 5230689 4206144 4399304 2402809 3722880 5050573 4444027 7309794 4245624 5571877 7429705 4540981 4149518 5572356 6306173 4776157 2988664 4194247 3793725 2684920 3637130 4169364 4456762 6128262 7433640 5790859 6177507 1888776 4050146 8004050 6717839 1375129 4047426 5032168 6888936 5960516 6048421 5528602 8565225 3857832 3654040 5490699 Isovalerylcarnitine 291147 259491 507993 327116 455699 591006 219365 224307 461535 402356 403033 403107 313836 433619 344510 189429 340096 391009 312097 420046 281738 351114 588608 595169 460595 392435 507869 525521 411655 487373 430292 424626 387387 496992 680704 476075 268236 350962 290442 288652 506284 423544 281010 505122 417036 506568 415975 401453 343915 381326 372969 499616 400302 374452 495106 604400 552029 441585 419259 442757 239524 496192 442524 478777 311705 468846 407143 411802 374994 312570 380434 408369 321934 473998 401682 382751 495321 237935 367135 346031 433453 132746 355130 347538 357162 469690 413553 377045 489423 372658 407212 371876 Kynurenine 33524 19747 29751 34513 53735 34800 25903 25653 31136 47647 51715 50372 38906 65236 38764 29272 38675 36231 23497 44315 38558 23342 31723 73729 57966 60212 39189 55639 71177 45721 41284 84247 45742 56518 40854 78325 30252 48840 39385 48218 46643 32828 17399 39064 35176 54353 29372 34958 17209 15447 32304 24905 35662 16724 44049 27457 24930 26197 23327 25790 34730 26534 39754 37980 42651 32266 40592 24768 35198 20323 26575 23160 23269 32758 40804 31653 47684 35390 34017 58848 45731 9631 28581 26023 31363 33686 45851 36556 38624 33174 31461 51152 Leucine 6793881 2321660 3345928 8376092 9315433 10826609 2656003 4925752 8022266 8645668 9057893 9988076 11931329 19731140 9498979 8020642 6825038 6173082 6714754 10262130 6015350 5601025 9316297 11533205 13446041 16482651 15590079 20506956 29062992 9840679 7826243 13962180 13939594 17194510 8960373 22903044 11106972 16328690 10255766 17557372 13556184 12692353 4821672 20043570 18607096 20601918 10773595 9142800 8901798 9855817 9172877 7979501 7967895 4839887 7338165 9000803 8204649 14088244 8412114 10596561 14231198 8615020 7956662 9993551 11172973 9026564 6214344 7707239 6953758 5192760 7191685 7690616 8363302 11247151 13665627 10722110 11998790 3788267 8167227 14608116 12665567 2718380 8247274 9255087 12302557 11523922 11652575 10827668 15621871 8432777 7312904 10532023 Maltotriose 53528 18023 25399 28662 58429 29941 7218 23730 44223 85922 138529 33948 43971 253535 38066 33941 30046 73378 2417030 91033 54511 28669 96759 121345 287984 51775 160626 87607 119735 25871 42581 90002 27098 46840 64581 67175 30872 159581 23607 76521 57848 16278 50061 31966 33227 52355 11431 57465 6986 8952 24930 29077 40242 8609 71417 44063 27944 14522 29848 14417 9452 16979 48422 21847 22917 71113 27238 11993 25740 17985 30056 20044 22361 19973 26908 9118 24884 6562 18051 41242 31606 23804 23277 20847 12618 22097 20582 17176 19944 22208 28014 40936 Mucic acid 35663 4618 24854 33858 75599 288669 20350 19405 48202 57450 11847 294988 212728 177530 197936 180884 63202 58723 117832 76516 73444 45972 1934 46629 35143 111279 289879 143405 269466 104526 73151 53761 58501 72637 103798 12415 157972 2430 112931 208525 50226 310998 1237 386105 275538 49664 69481 15066 85824 163219 92384 91892 53133 137173 605 8169 48125 151274 89238 42848 207110 50269 30620 130619 89124 2378 10027 65832 4681 25616 37150 48122 58768 202447 177806 98903 22627 15434 16173 89003 49241 318 46305 108594 218992 31311 48917 59668 232595 24492 38900 4987 N-Acetyl-alanine 227582 58246 97836 170996 293237 400857 87046 263167 245027 452995 307537 337730 419964 770180 299874 256384 155249 162700 204162 204198 155732 129120 257918 310783 287941 571078 818142 649499 838763 241985 180412 377912 373138 286823 303015 684569 359795 437349 375868 551190 311603 378829 62318 1090413 925181 691454 354498 267032 281039 275546 245089 200163 201422 182257 247972 259493 191303 561379 475035 345458 938641 234015 250316 263997 302114 339347 200684 239967 221684 115130 285654 192591 226417 328249 456897 617567 407789 99947 239794 451255 419189 109077 234620 351066 414284 246535 243630 240394 504599 154240 157233 262858 N-Acetyl-glucosamine 95374 57927 81634 110800 129081 206600 119972 108318 121313 145968 132221 139308 125597 154656 147455 154906 180125 102068 103616 125084 112296 92602 101452 100679 108788 134293 157168 317815 106555 155567 156674 117380 167859 182869 305552 197501 114981 218730 142885 118502 128199 187055 235037 110270 104419 148688 158526 138295 122224 212311 171328 169853 180188 206700 135750 186354 228116 149601 159113 228482 147417 194436 133717 120022 175416 209211 120046 259952 171136 170113 145986 180851 146713 129543 156620 177503 152942 91421 214903 185812 126185 77258 150882 159961 101782 147900 110073 152249 157238 171736 125788 134567 N-Acetyl-glutamic acid 70880 38781 74634 83133 104204 110357 49383 56170 97659 81594 118693 110968 103104 140871 109158 139330 131658 148090 121988 132938 85399 90097 142505 151987 119625 92035 102405 98112 205117 105610 87476 148130 118504 129011 109409 95136 79106 110580 86209 118690 123921 109117 42411 142809 129924 215362 141459 96158 78596 107774 102608 101555 131760 84384 120958 141203 130167 114990 122544 113106 133706 128097 108052 93934 110918 68096 99036 96510 64820 78908 103058 95964 65432 100938 99564 117592 96304 51598 99536 136540 116567 24493 101170 100571 128436 108247 143508 134401 140597 80580 110306 120371 N-Acetyl-glycine 177566 55606 104488 81598 170298 95261 39638 92593 94775 191978 385492 62440 120388 294109 90837 60214 77412 164021 142797 306684 147559 147607 447700 333815 184605 216973 50418 284132 362003 170843 194994 373877 190008 308270 220008 369388 98955 497575 50230 237052 235874 97643 227569 85613 129920 457549 163756 272515 18357 19270 73823 91125 138991 73692 370071 212267 92500 121214 88377 71012 22175 77903 215759 58573 81559 361070 179190 70430 152450 101806 177003 69159 106764 121611 182071 46672 247025 95508 211104 399917 258557 152699 206865 137354 70611 202707 252340 134673 194255 168499 240605 316069 N-acetyl-methionine 152780 54521 80326 249710 394501 49799 46989 114092 299895 216816 191886 46823 163561 846280 112591 277511 226866 150634 179088 265409 211905 130152 187781 339255 343312 114740 29807 725090 324106 41125 35864 389995 318546 40216 36290 901646 48029 562367 252269 410231 422110 56276 74210 52135 159093 579841 177181 282016 24581 27012 114112 297868 297316 11151 231248 370709 320000 80226 207127 343814 95150 266935 452604 88517 108593 240487 234957 285708 219768 200620 276465 237632 238192 30195 92927 232926 329994 83386 63719 412929 317837 45651 173414 287061 92967 272223 291709 301033 46885 179830 238795 297792 N-Acetylneuraminic acid 218286 117099 186315 301527 429151 396547 151834 225174 376322 324981 326428 485732 410664 509961 420715 414607 443890 422130 373984 437133 322029 311199 414969 416349 338356 302971 454107 346305 614666 331763 256538 482388 419412 413099 300115 359922 361123 314280 327585 394428 412965 440932 144393 524313 518037 549407 462721 361885 289628 393977 335340 349049 380270 277756 272491 357656 398150 327163 323662 410114 440164 444199 397728 387599 430288 308290 328670 362271 261728 274507 356740 397076 342920 433763 418760 465975 363038 172872 340589 390681 417565 94849 358428 329175 467689 410153 438282 431699 453559 294844 322145 437113 N-Acetyl-ornithine 232637 106537 187684 183869 289293 265052 100941 141928 240526 285920 1176705 975719 327140 771321 322510 306026 321016 381970 2157090 416065 226404 256582 382269 544783 569881 314399 412746 327498 728908 347193 294867 409616 311836 359994 348102 330226 263079 529242 433886 523140 385107 333864 203892 434259 423187 452282 401396 403381 293425 338725 307067 325826 430701 238623 374829 423760 296972 323573 323378 338773 368111 307919 293704 295383 269085 268035 229641 196418 158682 144924 222116 198528 175634 211143 220765 203450 196749 100298 193589 292393 261075 94918 186583 208118 282507 242313 295344 252400 318395 203399 225432 264363 Nicotinic acid 274345 99549 323791 164412 285285 334415 71860 153696 232359 379010 1145419 213706 230739 792190 232174 202442 172002 267154 4836840 420994 256602 175882 525201 424112 751963 273228 347314 417632 804837 210142 223820 451970 189635 274696 343927 367036 178508 1163248 1056191 1542870 467256 144658 298253 356088 520077 381692 275628 527181 152389 85582 177229 229973 384111 113801 535623 332451 192487 169385 216421 215343 156824 158612 408343 185367 192811 476817 188802 141667 200986 134176 221456 183253 205264 414283 276729 101545 255951 87643 193359 387560 298488 188544 181484 255397 191267 218105 249044 166351 234066 192033 239248 314623 O-Phosphorylethanolamine 1201142 694912 1296333 2126928 2658139 2688489 1525638 1196714 2198264 1299338 1170239 3103592 2314385 1447636 2594094 3089001 2926699 3295224 2538444 2326171 1703351 2080617 1945334 1940367 2163650 629276 2173350 30407 1946357 1600124 1195415 2124532 1498859 1890274 512933 261357 1799127 174953 1358529 2113537 2019473 2397705 294736 2371837 2863800 2125148 2827515 1505011 2007490 2672392 1630486 3071685 2597525 1847026 983685 2235764 2685434 2027982 1763150 2362812 2447363 2975509 2309942 2671418 2840797 568142 1920507 2199486 1327450 1686495 2156305 2389296 1792118 2361391 1890623 2285998 1251285 1413262 1617602 881035 1999934 285035 2193421 1812716 2968124 2351461 2725683 2863916 1769346 1547725 1558040 1851620 Ornithine 40331 15258 23873 54807 62227 65320 18129 35747 42657 52885 39599 55157 58159 77900 48943 47215 45290 39685 42891 46575 33433 31816 44044 62227 76712 83305 113764 106023 117031 55011 39954 78435 73997 71146 52144 95121 59438 66388 62657 72891 64157 66184 27254 133892 102611 105612 63103 53908 53021 57683 45902 45703 46011 30538 40646 52180 53173 78001 74736 68290 107672 58460 54602 56096 65016 57954 36021 47342 39545 32872 48194 47087 40858 48083 65918 81131 53053 26731 38331 62747 76047 16058 52769 45559 66875 67183 63783 69103 83660 54672 49080 77141 Phenylacetic acid 503600 271626 354917 539615 622064 641195 212442 305087 503548 605841 731643 421503 717835 850047 265261 327172 491014 498731 537728 564070 552927 484116 1289174 699042 1067561 485696 688392 531212 623706 329540 418413 664198 701153 386382 397910 949735 275641 657412 108798 433953 606098 397109 391319 443699 178751 669782 575356 515026 295598 715093 650843 347847 546627 201741 687622 357834 412229 154508 121933 733188 267320 720361 640645 519777 625875 869932 561739 230403 335395 389367 634441 618305 279241 290108 455041 358038 328881 207669 491972 545879 295619 181250 399769 146478 141944 548414 457273 558473 289345 347079 337002 711900 Phosphoenolpyruvic acid 51394 19169 45592 67217 65232 74793 32224 40217 55066 64146 67095 76964 88929 146431 74862 63972 59835 73255 56805 77551 55030 45300 88770 85421 72767 106071 86416 131710 143173 84539 75430 89488 105756 103872 98278 124631 75915 117371 82234 107091 82888 95824 75574 89380 104050 104163 72120 75586 52884 78420 104407 67759 61697 73115 72363 81817 71053 85887 71059 72282 74316 81210 72138 87154 88096 101619 65927 72738 59923 58636 63399 61201 57486 89830 117545 53482 76384 48189 99483 131098 88368 38754 76356 63208 90686 68434 88950 76683 120480 53450 79437 79278 Pipecolinic acid 1352243 485813 602076 1068817 1295551 1051909 467088 670394 1082478 1423929 1742352 1016859 1225809 1645418 1056286 937844 1078506 1092022 650668 1480638 1116466 886765 950257 77201 1004105 212787 592405 732431 1295625 551541 438070 848537 923269 647329 781597 908688 492132 592739 494373 946498 1073908 573662 140686 668887 976382 760186 877908 746758 295179 355137 488587 614903 744119 388160 640049 715434 568100 646165 669493 683631 480023 615933 567787 457963 541006 519692 469353 464734 439025 404554 606762 479884 443593 610209 791178 522447 614505 199898 370190 629651 737737 98139 444829 568730 592048 641326 765667 721593 932372 301563 478752 851033 Proline 28040812 11480362 16195772 37335245 37274908 43367285 15202612 25065144 37999777 39789881 41397126 48590798 56064439 81578494 46405528 39188453 34978197 34701683 39405655 43491690 27032928 28470741 41278944 45534123 51516295 64615689 64040021 74467822 93890265 37146016 29578194 53710981 52504334 56138697 31628335 76891931 50512934 54543847 41951075 69229109 52244801 48412129 16581768 78255610 74589479 81704156 49327193 37634691 48490896 50821766 48448390 35460948 36924708 23751377 31527475 39279412 37033307 48521489 37841171 45641715 64811046 38226149 37659015 49856641 54340311 35014946 31977821 35859081 29416875 27294068 38964660 36943545 36696766 49649399 57113039 48506996 46706591 20154110 37257981 54181748 49516094 12850179 38769205 38430654 59347156 44815345 51809939 46341856 63588513 31091992 32549190 44230740 Propionylcarnitine 61320 32220 62748 229321 337482 196086 184892 464830 339052 259002 207190 499158 263494 457827 536198 724707 1082627 1759898 848095 1088826 530734 970477 2260373 490668 217377 48663 102079 152350 163240 39168 59916 807803 170825 392090 122667 117972 307841 188626 105969 281382 206078 218187 175355 320455 901071 831995 927279 448150 264964 419477 412060 693634 540037 494332 280095 389092 466809 436336 622041 581708 493039 543246 484840 578567 507896 1222507 724672 595844 275020 319225 536719 637592 418809 620169 705135 1284861 560495 437426 723310 516970 1013426 185707 475103 364963 843157 572686 1337439 1025578 673999 401253 498755 1471045 Putrescine 473967 259220 597042 560971 739543 973902 434124 542007 731955 784663 562847 952201 644086 879790 883931 460597 748923 1060450 920317 578295 611924 779891 1145063 703689 824572 622225 1257405 637781 1400652 1752013 1180368 1139758 990740 1549757 1400047 860379 890158 337998 1101488 895473 549956 1358988 697173 1109519 987592 1489926 1061933 892035 671074 1237104 986187 660840 1240359 1172835 1406278 902330 1004171 1449566 1163753 1341203 810634 1117727 1228782 808231 965156 1603282 1551791 1105394 787763 1063610 1487894 1259192 721831 1353932 1327335 977034 797903 867399 1304555 952278 843623 323243 1246282 735973 921715 886984 899944 999283 1185184 1058840 1029652 1064892 Pyridoxal 296686 259829 561854 1121650 1057538 1973179 284613 825360 1237841 1159953 720725 675506 968841 3035280 624141 294713 1569644 822135 869881 490192 766081 636949 1213876 1541078 1111860 1011333 2728380 3062774 643772 491283 605749 1455202 3045294 712912 1755429 2318068 567815 1561892 873799 781022 1921275 2429438 849962 489529 623063 2693043 1845876 1573327 294199 2985794 2486841 1010410 1710008 585021 513540 713949 1406592 2524738 390797 1567479 503282 2590202 1134679 309403 557140 1266164 1202836 1423705 797343 1927821 1342189 1905271 766019 566672 2469448 2387726 1576494 998403 922902 2256951 1414260 355355 1946445 1035292 403476 1845895 1326636 1491735 1416962 1467805 1427846 1219329 Ribulose-5-phosphate 503989 309199 347069 226725 317584 164335 290170 269258 321942 366672 381944 83974 74790 130326 75973 442848 168916 263489 503662 248496 223637 364192 186049 270389 396125 46233 174840 10971 222580 69492 45154 148512 177653 150696 15459 38509 155370 24081 111782 183660 359170 126517 79000 472739 151853 249354 311880 188594 593761 253174 50495 290420 155487 83816 160231 198666 136923 86198 275977 694631 2383678 206845 294673 255609 178230 104264 423105 255188 153255 302341 357337 331189 308695 28220 49223 1449470 197254 237788 105578 65696 214740 38412 313214 166254 114571 256566 309335 388950 60622 375095 273179 427030 Sorbitol/Mannitol/Dulcitol 127131 53589 76681 117001 184643 150120 39533 72559 132565 192328 297660 150217 139325 482626 140269 125868 119379 155886 201470 212482 147398 123198 2688006 244774 166819 156186 106808 246808 312295 99078 139943 272013 144510 151722 125397 187009 105880 285078 81507 230908 187918 126573 123966 133628 148102 211419 128906 172747 70153 85406 107527 158931 169529 90525 685161 168339 118405 123335 110090 111067 90349 124732 227675 131247 146333 251723 138447 101854 89527 83965 153599 113013 96902 133160 150805 73086 125207 55567 114912 185470 124005 56862 107923 151652 103332 120271 138759 109202 137148 90695 121426 124010 Succinic acid 317682 141125 392342 92777 170855 139370 100866 63211 80595 152675 325057 117518 144027 339857 92551 139486 85081 293549 425595 318703 98616 249743 719011 649481 353242 211511 425845 162753 1423784 1217538 416185 204858 103656 159082 476501 412390 92775 361702 73865 211140 220348 118445 144201 2960 121332 525864 191008 143149 57963 39386 110784 128573 85164 108890 390116 171691 67800 73346 60735 70892 42059 50976 258775 72346 147935 515165 349374 63227 86077 61849 214233 64179 78428 75554 93713 43373 96336 95166 140729 158135 85018 132514 116523 82432 99462 68614 202058 92207 77368 108278 158987 208638 Threonine 310705 122765 215011 373643 450698 480875 152494 268871 413844 385811 353352 462242 493676 774365 396622 467091 379926 405372 383109 493922 303388 322351 546096 558755 532188 638408 710450 828360 1278917 441658 375396 601987 584560 674900 467529 864076 432683 597333 407295 700218 549971 564123 176186 886437 860566 955963 552906 369801 388429 436770 384583 382799 385983 249879 356152 394982 448950 481993 396565 502713 640847 406025 384849 462973 516355 383596 319781 382806 287566 253365 360378 377475 332467 516910 613222 543752 480986 175194 405733 591218 590540 98211 386127 368661 555754 499218 527027 507705 719718 319605 343958 512736 Valine/5-Amino valeric acid 28639 7397 15505 39480 41716 48860 9655 20169 35040 38059 39205 50488 57060 105926 37096 36062 36882 30528 35122 46851 29432 23860 48356 54259 63359 75288 66932 94405 163713 42921 33220 64930 61540 79057 44545 115066 49339 76561 43592 88112 70346 51641 18548 90757 83914 91102 51604 38325 43515 45957 44491 38070 35014 20332 32531 42618 36872 49798 31899 47414 65512 37462 38838 50452 52132 39391 25465 37883 31510 21059 34742 32789 34499 44447 61778 50454 50310 15224 35804 67580 61961 9689 31696 39514 58546 50932 50983 49883 75081 33017 28283 50999 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name HMDB_ID KEGG_ID PUBCHEM_ID 1-Methyl Adenosine HMDB0003331 27476 C02494 3-Methylhistidine HMDB0000479 64969 C01152 4-Guanidinobutyric acid HMDB0003464 500 C01035 4-Hydroxybenzaldehyde HMDB0011718 126 C00633 Acetylcarnitine HMDB0000201 7045767 C02571 Adenosine HMDB0000050 60961 C00212 Arginine HMDB0000517 6322 C00062 Carnitine HMDB0000062 10917 C00487 Carnosine HMDB0000033 439224 C00386 Choline HMDB0000097 305 C00114 Citrulline HMDB0000904 9750 C00327 Creatine HMDB0000064 586 C00300 Cytidine HMDB0000089 6175 C00475 Glutamic acid HMDB0000148 33032 C00025 Glutamine HMDB0000641 5961 C00064 Glutathione oxidized HMDB0003337 65359 C00127 Histidine HMDB0000177 6274 C00135 Hypoxanthine HMDB0000157 790 C00262 Inosine HMDB0000195 6021 C00294 Lysine HMDB0000182 5962 C00047 Malic acid HMDB0000156 222656 C00149 Methionine HMDB0000696 6137 C00073 Methionine sulfoxide HMDB0002005 158980 C02989 N-Acetyl-arginine HMDB0004620 67427 NA N-Acetyl-aspartic acid HMDB0000812 65065 C01042 N-Acetyl-glutamine HMDB0006029 182230 NA Nicotine amide HMDB0001406 936 C00153 Pantothenic acid HMDB0000210 6613 C00864 Phenylalanine HMDB0000159 6140 C00079 Phosphocholine HMDB0001565 1014 C00588 Pyroglutamic acid HMDB0000267 7405 C01879 Serine HMDB0000187 5951 C00065 Spermine HMDB0001256 1103 C00750 Taurine HMDB0000251 1123 C00245 Thiamine HMDB0000235 1130 C00378 Threonic acid HMDB0000943 5460407 C01620 Tryptophan HMDB0000929 6305 C00078 Tyrosine HMDB0000158 6057 C00082 Uracil HMDB0000300 1174 C00106 Uridine HMDB0000296 6029 C00299 Xanthine HMDB0000292 1188 C00385 y-Aminobutyric acid HMDB0000112 119 C00334 12,13-DHOME HMDB0004705 25320870 C14829 2-(hydroxymethyl)butanoic acid/2-Ethylhydracrylic acid NA NA NA 2-Aminoadipic acid HMDB0000510 92136 C00956 2'-Deoxycytidine HMDB0000014 13711 C00881 2-Oxoglutaric acid HMDB0000208 51 C00026 3-hydroxy-4,5-dimethyl-3(5H)-furanone HMDB0031306 62835 NA 5-Hydroxymethyl-2-furaldehyde HMDB0034355 237332 C11101 5-Methylcytosine HMDB0002894 65040 C02376 8-Aminooctanoic acid/Propranolol NA NA NA Acetylcholine HMDB0000895 187 C01996 Acetylhistidine HMDB0032055 75619 C02997 Adenine HMDB0000034 190 C00147 Alanine HMDB0000161 5950 C00041 Anserine HMDB0000194 112072 C01262 Asparagine HMDB0000168 6267 C00152 Aspartic acid HMDB0000191 5960 C00049 Benzaldehyde HMDB0006115 240 C00261 Betaine HMDB0000043 247 C00719 Butylated hydroxyanisole HMDB0059925 8456 NA Butyrylcarnitine HMDB0002013 213144 C02862 CDP-choline HMDB0001413 13805 C00307 CDP-ethanolamine HMDB0001564 123727 C00570 cis-Aconitic acid HMDB0000072 643757 C00417 Creatinine HMDB0000562 588 C00791 Cystine HMDB0000192 67678 C00491 Cytosine HMDB0000630 597 C00380 Fumaric acid HMDB0000134 444972 C00122 Glutaric acid/Ethylmalonic acid NA NA NA Glutathione HMDB0000125 124886 C00051 Glycine HMDB0000123 750 C00037 Guanidoacetic acid HMDB0000128 763 C00581 Guanosine HMDB0000133 6802 C00387 Hexose NA NA NA Hydroxyphenyllactic acid HMDB0000755 9378 C03672 Imidazole HMDB0001525 795 C01589 Isocitric acid HMDB0000193 1198 C00311 Isoleucine HMDB0000172 6306 C00407 Isovalerylcarnitine HMDB0000688 6426851 NA Kynurenine HMDB0000684 161166 C00328 Leucine HMDB0000687 6106 C00123 Maltotriose HMDB0001262 439586 C01835 Mucic acid HMDB0000639 3037582 C00879 N-Acetyl-alanine HMDB0000766 88064 NA N-Acetyl-glucosamine HMDB0000215 439174 C00140 N-Acetyl-glutamic acid HMDB0001138 70914 C00624 N-Acetyl-glycine HMDB0000532 10972 NA N-acetyl-methionine HMDB0011745 448580 C02712 N-Acetylneuraminic acid HMDB0000230 445063 C19910 N-Acetyl-ornithine HMDB0003357 439232 C00437 Nicotinic acid HMDB0001488 938 C00253 O-Phosphorylethanolamine HMDB0000224 1015 C00346 Ornithine HMDB0000214 6262 C00077 Phenylacetic acid HMDB0000209 999 C07086 Phosphoenolpyruvic acid HMDB0000263 1005 C00074 Pipecolinic acid HMDB0000070 849 C00408 Proline HMDB0000162 145742 C00148 Propionylcarnitine HMDB0000824 188824 C03017 Putrescine HMDB0001414 1045 C00134 Pyridoxal HMDB0001545 1050 C00250 Ribulose-5-phosphate HMDB0000618 439184 C00199 Sorbitol/Mannitol/Dulcitol NA NA NA Succinic acid HMDB0000254 1110 C00042 Threonine HMDB0000167 6288 C00188 Valine/5-Amino valeric acid HMDB0240732 14274897 NA METABOLITES_END #END