#METABOLOMICS WORKBENCH RCulpHill_20190813_075052 DATATRACK_ID:1798 STUDY_ID:ST001242 ANALYSIS_ID:AN002063 PROJECT_ID:PR000831 VERSION 1 CREATED_ON August 19, 2019, 8:23 pm #PROJECT PR:PROJECT_TITLE Trisomy 21 activates the kynurenine pathway via increased dosage of interferon PR:PROJECT_TITLE receptors PR:PROJECT_SUMMARY Trisomy 21 (T21) causes Down syndrome (DS), affecting immune and neurological PR:PROJECT_SUMMARY function by unknown mechanisms. We report here a large metabolomics study of PR:PROJECT_SUMMARY plasma and cerebrospinal fluid showing that people with DS produce elevated PR:PROJECT_SUMMARY levels of kynurenine and quinolinic acid, two tryptophan catabolites with potent PR:PROJECT_SUMMARY immunosuppressive and neurotoxic properties, respectively. We demonstrate that PR:PROJECT_SUMMARY immune cells of people with DS overexpress IDO1, the rate-limiting enzyme in the PR:PROJECT_SUMMARY kynurenine pathway (KP) and a known interferon (IFN)-stimulated gene. PR:PROJECT_SUMMARY Furthermore, we show positive correlations among levels of IFN-inducible PR:PROJECT_SUMMARY cytokines and KP dysregulation. Using metabolic tracing assays, we determine PR:PROJECT_SUMMARY that IFN stimulation causes IDO1 overexpression and kynurenine overproduction in PR:PROJECT_SUMMARY cells with T21, dependent on overexpression of IFN receptors encoded on PR:PROJECT_SUMMARY chromosome 21. Finally, we show a mouse model of DS carrying triplication of the PR:PROJECT_SUMMARY IFN receptors exhibits KP dysregulation. Altogether, these results reveal a PR:PROJECT_SUMMARY mechanism by which T21 could drive immunosuppression and neurotoxicity in DS. PR:INSTITUTE University of Colorado Denver PR:LAST_NAME Culp-Hill PR:FIRST_NAME Rachel PR:ADDRESS 12801 E 17th Ave L18-9403D, Aurora, Colorado, 80045, USA PR:EMAIL rachel.hill@cuanschutz.edu PR:PHONE 303-724-5798 #STUDY ST:STUDY_TITLE Global Metabolic Analysis Trisomy 21 - Cohort 3, CSF ST:STUDY_SUMMARY global metabolic analysis of CSF from individuals with and without trisomy 21. ST:INSTITUTE University of Colorado Denver ST:LAST_NAME Culp-Hill ST:FIRST_NAME Rachel ST:ADDRESS 12801 E 17th Ave L18-9403D, Aurora, Colorado, 80045, USA ST:EMAIL rachel.hill@cuanschutz.edu ST:PHONE 303-724-5798 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:AGE_OR_AGE_RANGE 0.5 - 76.5 SU:GENDER Male and female #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_51-L15-181 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_52-L15-195 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_53-L16-009 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_54-L16-033 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_55-L16-048 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_56-L16-056 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_57-L16-086 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_58-L16-087 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_59-L16-107 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_60-L16-145 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_61-L16-146 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_62-L16-153 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_63-L16-202 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_64-L16-208 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_65-L17-032 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_66-L17-090 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_67-L17-125 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_68-L17-131 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_69-L17-170 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_70-L17-207 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_71-L17-210 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_72-L17-235 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_73-L17-246 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_74-L17-274 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_75-L17-276 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_76-L17-292 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_77-L18-020 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_78-L18-021 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_79-L18-028 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_80-L18-044 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_81-L18-098 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_82-L18-130 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_83-L18-162 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_84-L18-170 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_85-L18-197 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_86-L18-205 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_87-L18-238 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_88-L18-302 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_89-L18-303 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_90-L18-314 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_91-L18-342 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_92-L19-006 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_93-L19-007 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_94-L19-014 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_95-L19-015 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_96-L19-016 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_97-L19-032 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_98-L19-065 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_99-L19-080 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_D21_100-L19-114 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_1-L15-158 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_2-L15-171 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_3-L15-188 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_4-L15-189 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_5-L16-010 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_6-L16-026 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_7-L16-038 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_8-L16-057 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_9-L16-058 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_10-L16-065 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_11-L16-076 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_12-L16-077 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_13-L16-116 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_14-L16-127 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_15-L16-128 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_16-L16-234 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_17-L16-241 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_18-L17-074 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_19-L17-095 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_20-L17-132 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_21-L17-145 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_22-L17-153 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_23-L17-160 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_24-L17-191 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_25-L17-192 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_26-L17-194 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_27-L17-201 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_28-L17-211 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_29-L17-226 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_30-L17-236 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_31-L17-245 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_32-L17-291 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_33-L17-293 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_34-L17-300 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_35-L18-007 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_36-L18-022 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_37-L18-029 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_38-L18-030 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_39-L18-042 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_40-L18-051 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_41-L18-059 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_42-L18-061 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_43-L18-062 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_44-L18-087 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_45-L18-100 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_46-L18-113 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_47-L18-133 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_48-L18-152 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_49-L18-171 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5pos_T21_50-L18-275 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_51-L15-181 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_52-L15-195 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_53-L16-009 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_54-L16-033 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_55-L16-048 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_56-L16-056 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_57-L16-086 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_58-L16-087 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_59-L16-107 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_60-L16-145 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_61-L16-146 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_62-L16-153 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_63-L16-202 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_64-L16-208 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_65-L17-032 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_66-L17-090 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_67-L17-125 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_68-L17-131 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_69-L17-170 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_70-L17-207 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_71-L17-210 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_72-L17-235 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_73-L17-246 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_74-L17-274 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_75-L17-276 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_76-L17-292 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_77-L18-020 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_78-L18-021 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_79-L18-028 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_80-L18-044 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_81-L18-098 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_82-L18-130 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_83-L18-162 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_84-L18-170 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_85-L18-197 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_86-L18-205 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_87-L18-238 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_88-L18-302 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_89-L18-303 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_90-L18-314 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_91-L18-342 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_92-L19-006 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_93-L19-007 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_94-L19-014 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_95-L19-015 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_96-L19-016 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_97-L19-032 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_98-L19-065 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_99-L19-080 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_D21_100-L19-114 Cohort:D21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_1-L15-158 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_2-L15-171 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_3-L15-188 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_4-L15-189 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_5-L16-010 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_6-L16-026 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_7-L16-038 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_8-L16-057 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_9-L16-058 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_10-L16-065 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_11-L16-076 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_12-L16-077 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_13-L16-116 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_14-L16-127 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_15-L16-128 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_16-L16-234 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_17-L16-241 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_18-L17-074 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_19-L17-095 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_20-L17-132 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_21-L17-145 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_22-L17-153 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_23-L17-160 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_24-L17-191 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_25-L17-192 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_26-L17-194 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_27-L17-201 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_28-L17-211 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_29-L17-226 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_30-L17-236 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_31-L17-245 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_32-L17-291 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_33-L17-293 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_34-L17-300 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_35-L18-007 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_36-L18-022 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_37-L18-029 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_38-L18-030 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_39-L18-042 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_40-L18-051 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_41-L18-059 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_42-L18-061 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_43-L18-062 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_44-L18-087 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_45-L18-100 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_46-L18-113 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_47-L18-133 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_48-L18-152 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_49-L18-171 Cohort:T21 SUBJECT_SAMPLE_FACTORS - SPIN_5neg_T21_50-L18-275 Cohort:T21 #COLLECTION CO:COLLECTION_SUMMARY All human subjects in this study were consented according to Colorado Multiple CO:COLLECTION_SUMMARY Institutional Review Board (COMIRB)-approved protocols. Written informed consent CO:COLLECTION_SUMMARY was obtained from parents or guardians of participants under the age of 18, and CO:COLLECTION_SUMMARY assent was obtained from participants over the age of 7 who were cognitively CO:COLLECTION_SUMMARY able to assent. Deidentified plasma samples for Cohort 1 were obtained from the CO:COLLECTION_SUMMARY Translational Nexus Clinical Data Registry and Biobank (University of Colorado CO:COLLECTION_SUMMARY Anschutz Medical Campus, COMIRB 08-1276). Additional plasma and WBC samples were CO:COLLECTION_SUMMARY obtained through the Crnic’s Institute Human Trisome Project (University of CO:COLLECTION_SUMMARY Colorado Anschutz Medical Campus, COMIRB 15-2170, www.trisome.org). Plasma was CO:COLLECTION_SUMMARY collected in Vacutainer tubes (EDTA–purple capped or Lithium heparin–light CO:COLLECTION_SUMMARY green capped) and stored at -80°C. Participant medical history was collected by CO:COLLECTION_SUMMARY the respective biobanks. CO:SAMPLE_TYPE Cerebrospinal fluid #TREATMENT TR:TREATMENT_SUMMARY N/A #SAMPLEPREP SP:SAMPLEPREP_SUMMARY For CSF analyses, a volume of 20μL of was extracted in 180μL of ice-cold SP:SAMPLEPREP_SUMMARY methanol:acetonitrile:water (5:3:2). Subsequently, these solutions were vortexed SP:SAMPLEPREP_SUMMARY for 30 minutes at 4°C. Insoluble proteins were pelleted by centrifugation (10 SP:SAMPLEPREP_SUMMARY minutes at 4°C and 12,000 g) and supernatants were collected and stored at SP:SAMPLEPREP_SUMMARY -80°C until analysis. For quantitative analysis of kynurenine pathway (KP) SP:SAMPLEPREP_SUMMARY metabolites, supernatants were spun in a Speedvac until dry and resuspended in SP:SAMPLEPREP_SUMMARY 0.1% formic acid in water as previously described (PMID: 30213797, 30143553). #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY UHPLC-MS metabolomics analyses were performed using a Vanquish UHPLC system CH:CHROMATOGRAPHY_SUMMARY coupled online to a Q Exactive mass spectrometer (Thermo Fisher, Bremen, CH:CHROMATOGRAPHY_SUMMARY Germany). 20uL of supernatant was injected for plasma and CSF samples, and 10uL CH:CHROMATOGRAPHY_SUMMARY of supernatant was injected for cell samples. Samples were resolved over a CH:CHROMATOGRAPHY_SUMMARY Kinetex C18 column (2.1x150 mm, 1.7μm; Phenomenex, Torrance, CA, USA) at 45°C CH:CHROMATOGRAPHY_SUMMARY using a 5-minute gradient at 450μL/minute from 5-95% B (A: water/0.1% formic CH:CHROMATOGRAPHY_SUMMARY acid; B: acetonitrile/0.1% formic acid) for positive mode. To monitor possible CH:CHROMATOGRAPHY_SUMMARY technical variability, aliquots of each of the individual samples were combined CH:CHROMATOGRAPHY_SUMMARY to make technical replicates, which were run after every 15 samples. CH:CHROMATOGRAPHY_SUMMARY Additionally, in each experiment, several lysis solution aliquots were run as CH:CHROMATOGRAPHY_SUMMARY blanks for artifact identification. CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Phenomenex Kinetex C18 (150 x 2.1mm, 2.6 um) CH:FLOW_GRADIENT 5-95% B CH:FLOW_RATE 450uL/min CH:COLUMN_TEMPERATURE 45 CH:METHODS_FILENAME 5MMpos_method.pdf CH:SOLVENT_A water, 0.1% formic acid CH:SOLVENT_B acetonitrile, 0.1% formic acid #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME D'Alessandro Lab AN:OPERATOR_NAME Rachel Culp-Hill #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS The Q Exactive mass spectrometer (Thermo Fisher Scientific, San Jose, CA, USA) MS:MS_COMMENTS was operated in positive ion mode using electrospray ionization, scanning in MS:MS_COMMENTS Full MS mode (1μscan) from 65 to 975 m/z at 70,000 resolution, with 4 kV spray MS:MS_COMMENTS voltage, 45 sheath gas, 15 auxiliary gas. MS analysis and data elaboration were MS:MS_COMMENTS performed as described74,75. Calibration was performed prior to analysis using MS:MS_COMMENTS the PierceTM Positive Ion Calibration Solution (Thermo Fisher Scientific). #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS relative abundance MS_METABOLITE_DATA_START Samples SPIN_5pos_T21_1-L15-158 SPIN_5pos_T21_2-L15-171 SPIN_5pos_T21_3-L15-188 SPIN_5pos_T21_4-L15-189 SPIN_5pos_T21_5-L16-010 SPIN_5pos_T21_6-L16-026 SPIN_5pos_T21_7-L16-038 SPIN_5pos_T21_8-L16-057 SPIN_5pos_T21_9-L16-058 SPIN_5pos_T21_10-L16-065 SPIN_5pos_T21_11-L16-076 SPIN_5pos_T21_12-L16-077 SPIN_5pos_T21_13-L16-116 SPIN_5pos_T21_14-L16-127 SPIN_5pos_T21_15-L16-128 SPIN_5pos_T21_16-L16-234 SPIN_5pos_T21_17-L16-241 SPIN_5pos_T21_18-L17-074 SPIN_5pos_T21_19-L17-095 SPIN_5pos_T21_20-L17-132 SPIN_5pos_T21_21-L17-145 SPIN_5pos_T21_22-L17-153 SPIN_5pos_T21_23-L17-160 SPIN_5pos_T21_24-L17-191 SPIN_5pos_T21_25-L17-192 SPIN_5pos_T21_26-L17-194 SPIN_5pos_T21_27-L17-201 SPIN_5pos_T21_28-L17-211 SPIN_5pos_T21_29-L17-226 SPIN_5pos_T21_30-L17-236 SPIN_5pos_T21_31-L17-245 SPIN_5pos_T21_32-L17-291 SPIN_5pos_T21_33-L17-293 SPIN_5pos_T21_34-L17-300 SPIN_5pos_T21_35-L18-007 SPIN_5pos_T21_36-L18-022 SPIN_5pos_T21_37-L18-029 SPIN_5pos_T21_38-L18-030 SPIN_5pos_T21_39-L18-042 SPIN_5pos_T21_40-L18-051 SPIN_5pos_T21_41-L18-059 SPIN_5pos_T21_42-L18-061 SPIN_5pos_T21_43-L18-062 SPIN_5pos_T21_44-L18-087 SPIN_5pos_T21_45-L18-100 SPIN_5pos_T21_46-L18-113 SPIN_5pos_T21_47-L18-133 SPIN_5pos_T21_48-L18-152 SPIN_5pos_T21_49-L18-171 SPIN_5pos_T21_50-L18-275 SPIN_5pos_D21_51-L15-181 SPIN_5pos_D21_52-L15-195 SPIN_5pos_D21_53-L16-009 SPIN_5pos_D21_54-L16-033 SPIN_5pos_D21_55-L16-048 SPIN_5pos_D21_56-L16-056 SPIN_5pos_D21_57-L16-086 SPIN_5pos_D21_58-L16-087 SPIN_5pos_D21_59-L16-107 SPIN_5pos_D21_60-L16-145 SPIN_5pos_D21_61-L16-146 SPIN_5pos_D21_62-L16-153 SPIN_5pos_D21_63-L16-202 SPIN_5pos_D21_64-L16-208 SPIN_5pos_D21_65-L17-032 SPIN_5pos_D21_66-L17-090 SPIN_5pos_D21_67-L17-125 SPIN_5pos_D21_68-L17-131 SPIN_5pos_D21_69-L17-170 SPIN_5pos_D21_70-L17-207 SPIN_5pos_D21_71-L17-210 SPIN_5pos_D21_72-L17-235 SPIN_5pos_D21_73-L17-246 SPIN_5pos_D21_74-L17-274 SPIN_5pos_D21_75-L17-276 SPIN_5pos_D21_76-L17-292 SPIN_5pos_D21_77-L18-020 SPIN_5pos_D21_78-L18-021 SPIN_5pos_D21_79-L18-028 SPIN_5pos_D21_80-L18-044 SPIN_5pos_D21_81-L18-098 SPIN_5pos_D21_82-L18-130 SPIN_5pos_D21_83-L18-162 SPIN_5pos_D21_84-L18-170 SPIN_5pos_D21_85-L18-197 SPIN_5pos_D21_86-L18-205 SPIN_5pos_D21_87-L18-238 SPIN_5pos_D21_88-L18-302 SPIN_5pos_D21_89-L18-303 SPIN_5pos_D21_90-L18-314 SPIN_5pos_D21_91-L18-342 SPIN_5pos_D21_92-L19-006 SPIN_5pos_D21_93-L19-007 SPIN_5pos_D21_94-L19-014 SPIN_5pos_D21_95-L19-015 SPIN_5pos_D21_96-L19-016 SPIN_5pos_D21_97-L19-032 SPIN_5pos_D21_98-L19-065 SPIN_5pos_D21_99-L19-080 SPIN_5pos_D21_100-L19-114 Factors Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 L-alanine 1751504.00 1179981.00 2127683.00 1094451.00 1490056.00 2009126.00 1392124.00 1281653.00 1557715.00 1971110.00 1529688.00 1754870.00 1657256.00 1668104.00 1213043.00 1639178.00 3439447.00 1533981.00 1299444.00 1593206.00 2063658.00 1166730.00 2170470.00 1906100.00 1576106.00 2855705.00 1564271.00 2357084.00 1647470.00 1540676.00 1502502.00 1511624.00 2202874.00 3097189.00 1494486.00 2016463.00 2103053.00 1630824.00 1654970.00 1406034.00 3046457.00 1578926.00 2235804.00 1673059.00 1791373.00 1595378.00 2146046.00 2100029.00 1346064.00 1963338.00 1449036.00 1954519.00 2270189.00 1419309.00 2014594.00 2864154.00 1994932.00 1718212.00 2158060.00 1740706.00 985137.20 994902.60 2731121.00 1578313.00 2241865.00 1788052.00 1651830.00 2230146.00 1984192.00 2405993.00 1793402.00 1026220.00 2245258.00 1454983.00 1660367.00 2030241.00 1412439.00 1853125.00 2108823.00 1085536.00 2617913.00 2691309.00 2655690.00 1912046.00 1707392.00 2131751.00 1561841.00 1732972.00 1991134.00 2350711.00 1308824.00 1302358.00 1842821.00 1345629.00 2118028.00 1489986.00 1426434.00 2238671.00 1895837.00 2011976.00 L-arginine 950543.80 1236904.00 1175697.00 1429068.00 1684717.00 1313183.00 1026911.00 1215960.00 1642347.00 1839506.00 1563145.00 1660539.00 810878.00 1631363.00 1180495.00 1361321.00 1923179.00 1317894.00 1240885.00 1206767.00 1685205.00 976159.30 2164152.00 1728552.00 1143808.00 1438328.00 1016629.00 1147144.00 1712179.00 940231.70 1776687.00 1091668.00 1301036.00 1389945.00 1749928.00 1462730.00 1108947.00 1841616.00 1559376.00 1376232.00 2078750.00 1516249.00 1166513.00 1108957.00 1176633.00 992532.10 1489902.00 1891354.00 1446628.00 1522635.00 1498285.00 1162358.00 1579371.00 1541641.00 1637097.00 1686975.00 1264494.00 1251618.00 2493358.00 1795068.00 1273879.00 1379355.00 1691602.00 1317896.00 1171180.00 1174781.00 1317388.00 2016237.00 1860331.00 1620850.00 931900.60 1112308.00 1981333.00 1368980.00 1485301.00 1742756.00 1894801.00 2037575.00 1201410.00 1263831.00 1833120.00 1069842.00 1768250.00 1065459.00 1226014.00 1448693.00 1734314.00 1855500.00 1546484.00 861537.80 1292844.00 1653351.00 1562481.00 1501250.00 1428229.00 1485777.00 1441997.00 1337478.00 1352777.00 1536848.00 L-asparagine 75146.13 79075.54 84312.49 92369.07 98019.25 67118.25 86827.80 51238.09 94279.38 74311.45 64221.08 81662.45 76848.59 75998.08 63737.79 78387.98 132740.90 89543.90 51214.92 66850.04 85748.82 28209.89 72742.51 110137.20 39722.69 68019.62 78713.41 76062.65 74652.84 107273.00 47419.58 66844.21 81325.09 118544.90 34070.08 87591.21 76878.76 69019.23 71633.88 52144.22 128775.20 74944.49 62578.50 83186.04 60423.38 61701.18 80506.65 65356.54 70987.19 57610.61 98750.27 77989.32 104848.80 78817.37 63592.70 122035.80 69316.20 87960.16 73226.98 80138.30 44827.81 157034.10 88297.77 77997.46 111018.60 111388.20 113578.20 109581.80 57411.36 55186.77 73317.70 50003.06 86735.65 70027.24 91215.19 68296.55 129433.20 101491.40 71465.93 59073.57 85471.16 69442.70 114698.80 94657.19 110330.60 71654.54 111594.10 99107.15 77063.65 93616.81 49961.46 91344.21 54262.66 79681.90 61752.03 48236.81 109486.70 65804.07 58071.18 116210.30 L-glutamate 446281.50 350255.70 302216.50 493043.60 846580.90 258945.60 484663.00 375418.20 344894.90 146256.40 298958.80 274376.30 341390.60 377301.80 265669.40 452871.50 298513.90 292764.80 648185.70 374577.20 706890.30 348573.50 322165.20 498525.90 424012.00 319142.40 379157.30 451058.50 227102.90 566348.70 342200.50 333843.10 365930.00 320534.70 376958.70 474366.80 346562.60 418969.00 234588.80 507654.90 306869.10 304661.90 567043.90 301465.90 319520.80 357273.70 356613.00 350194.60 332438.80 287042.80 434660.90 387395.00 651973.10 525657.80 413838.70 460523.20 588904.30 488385.70 305354.80 408873.10 751777.70 671531.10 491986.30 456267.80 496584.10 644871.10 358012.60 478534.90 461789.50 387202.10 467566.50 613677.40 572259.60 585096.80 324518.80 212665.80 541845.40 602169.60 498615.50 808817.50 509762.60 411693.60 387633.80 428339.80 460310.80 408228.40 445214.50 557128.20 516287.80 454625.60 517920.50 464786.50 425732.50 659759.30 371631.30 571433.20 592656.80 373108.70 480743.80 748218.80 L-glutamine 20894670.00 15147850.00 21831430.00 16275650.00 17965230.00 21041470.00 20172690.00 14801550.00 18558430.00 19984630.00 20488330.00 21402830.00 15296180.00 13337490.00 20821490.00 19849230.00 21956370.00 16760730.00 14360640.00 15543500.00 21277710.00 15368890.00 20780970.00 14597080.00 16291290.00 20970730.00 18991170.00 19488180.00 16695240.00 20408190.00 15931220.00 14934630.00 16145290.00 24460600.00 15017450.00 22108180.00 18808320.00 15003740.00 22856760.00 15752360.00 24875840.00 20122280.00 22262810.00 14946060.00 19130770.00 17719030.00 22275080.00 18148500.00 24930770.00 16002040.00 16598880.00 23763460.00 22186130.00 20245190.00 18034090.00 23923750.00 17644020.00 17958300.00 16587000.00 18230170.00 19224320.00 15643880.00 21586770.00 15612860.00 18095870.00 18453740.00 14627450.00 22863970.00 18283130.00 18366340.00 15028490.00 14289510.00 20064390.00 16867330.00 14858510.00 17441650.00 14672350.00 17820390.00 18224610.00 15561930.00 18802430.00 17906880.00 16590830.00 22078070.00 22896920.00 17986100.00 14209640.00 17937970.00 20429480.00 17405110.00 16937880.00 17188650.00 17635190.00 19774270.00 15789630.00 17891580.00 13842290.00 18679180.00 23654400.00 14942930.00 L-histidine 536091.30 444781.20 639062.90 433504.30 501659.80 639414.70 647040.60 466070.40 544871.20 506555.00 598206.90 593686.30 451438.50 427237.00 602168.20 589288.10 654989.10 477044.50 518299.80 488609.00 655513.20 465078.60 748241.70 579017.80 546868.80 555949.30 663982.30 752069.80 633462.50 563503.80 538727.30 514226.70 479249.80 512888.90 524508.30 665197.80 616849.60 560306.10 614100.20 327728.70 780523.20 689963.40 522472.10 515769.50 500596.80 518736.00 564286.50 677153.90 729345.70 556570.20 380033.90 495374.50 576975.30 532771.50 605319.60 650175.80 423399.70 543062.60 539713.40 571920.00 557142.10 565062.30 579231.50 449250.80 388686.10 527184.60 503677.70 735182.60 476795.00 427468.20 449277.60 411024.80 621617.40 536381.40 313359.30 437632.00 703813.10 662642.10 550863.20 519635.10 651253.00 504362.70 516190.00 483022.70 645283.20 489905.40 567837.30 918160.00 550443.10 572552.40 579324.60 493248.40 365516.50 469611.40 546423.90 436481.80 515275.70 405033.90 617231.70 618417.20 L-leucine 11054650.00 9105933.00 12778640.00 10123340.00 10329450.00 9798280.00 10319890.00 5801418.00 8931183.00 9415100.00 11010060.00 9500012.00 12324700.00 12074140.00 7971376.00 9506525.00 16931500.00 9736320.00 7552486.00 15062180.00 11816260.00 9086261.00 15629400.00 18321500.00 11114240.00 15132010.00 7429056.00 14132400.00 12050860.00 9931007.00 10139390.00 10790260.00 11327940.00 15722330.00 10463080.00 15571280.00 11225260.00 10334630.00 12823680.00 7870916.00 19396960.00 10627770.00 11704340.00 12670800.00 11466380.00 8815909.00 11082880.00 12623960.00 9712553.00 15218460.00 7900932.00 10691750.00 18176090.00 9585507.00 15710700.00 11006370.00 17537090.00 11698600.00 13357630.00 7983492.00 6892902.00 8561263.00 19912380.00 8669335.00 17631060.00 12344620.00 10248230.00 13279860.00 13469190.00 14370700.00 12465140.00 6736344.00 14756050.00 12530300.00 14882390.00 22014210.00 10611750.00 8752963.00 12861850.00 11825960.00 16464780.00 14006520.00 15398080.00 14329690.00 12075390.00 10611980.00 11302340.00 15134190.00 15917870.00 11628140.00 8805691.00 10133720.00 8907234.00 10069900.00 15722430.00 9166203.00 9979649.00 13325960.00 11490990.00 13202220.00 L-lysine 2316905.00 2173163.00 2529682.00 2705681.00 2220046.00 1613556.00 2663497.00 1498877.00 2772816.00 2673018.00 2731024.00 2226848.00 2446285.00 1685885.00 1727735.00 2906765.00 3911501.00 2359752.00 2300093.00 2666359.00 3478344.00 2644703.00 3168684.00 3414365.00 2591588.00 3496668.00 2235834.00 3391765.00 3711297.00 2208476.00 2087486.00 3775531.00 2704104.00 2358840.00 2234794.00 4516868.00 3278680.00 3250479.00 3804373.00 2428106.00 4992979.00 3383629.00 2454134.00 3352810.00 3626278.00 2432326.00 2751078.00 2932275.00 1982995.00 3887951.00 1477691.00 1554779.00 2932682.00 2798121.00 3511942.00 2313607.00 1982596.00 1657611.00 2148337.00 1735675.00 1877803.00 1393661.00 2967835.00 2274479.00 3251789.00 2919368.00 1876576.00 2489279.00 1775462.00 2494175.00 3005339.00 1762928.00 2969326.00 1930175.00 2672064.00 1922686.00 1475341.00 3000907.00 2634110.00 2640877.00 2372193.00 2349248.00 2961859.00 3243213.00 3329800.00 2376668.00 2618536.00 3305071.00 2265090.00 2346366.00 1875096.00 2825267.00 1683694.00 2421836.00 2463339.00 1856197.00 2196482.00 2669329.00 2098843.00 3339566.00 L-methionine 1297386.00 993738.30 1906644.00 1248708.00 1672365.00 1357603.00 1328002.00 941612.60 1502486.00 976440.00 1795241.00 1299742.00 913495.30 1160284.00 1070816.00 1387608.00 2574578.00 1369205.00 1122284.00 1779204.00 1603875.00 947706.30 1826120.00 2150418.00 1386919.00 2050390.00 1278562.00 2374709.00 1206984.00 1756554.00 1266999.00 1105713.00 1633382.00 2112635.00 1574102.00 1973475.00 1384628.00 1472082.00 1357160.00 1089181.00 1752332.00 1353556.00 1651354.00 1302338.00 1327208.00 1223258.00 1371972.00 1847923.00 1610584.00 1355633.00 1128347.00 1290127.00 1771556.00 1040919.00 1730016.00 1789299.00 1451470.00 968359.70 1369155.00 1329894.00 967284.20 1012000.00 1975004.00 1118150.00 1697206.00 1662003.00 1307880.00 1945711.00 1437640.00 1251892.00 1303490.00 783281.60 1505832.00 1345634.00 1014735.00 1775038.00 1310222.00 2440438.00 1279621.00 1389112.00 1476234.00 960810.50 1659506.00 1226057.00 1572513.00 1543420.00 993077.20 2201381.00 1575970.00 1045503.00 951091.70 1386066.00 1149244.00 955664.80 1354468.00 767942.70 1233631.00 1393366.00 1181230.00 1253256.00 L-phenylalanine 2303049.00 2216780.00 3011195.00 2639340.00 2328291.00 2909945.00 2159003.00 2143593.00 2428262.00 2325093.00 3711540.00 2731377.00 2202604.00 1898715.00 3318852.00 1930488.00 3393659.00 3053097.00 1949484.00 2405997.00 1821857.00 1893736.00 3287243.00 3102928.00 3170134.00 3109421.00 2460982.00 2826963.00 2850789.00 3091537.00 2372440.00 2293828.00 3453329.00 3678617.00 2688031.00 3160974.00 2945011.00 1643884.00 2656211.00 1644991.00 2597688.00 2453761.00 2252055.00 2262469.00 2712514.00 2249660.00 3188957.00 3654756.00 2614788.00 2660516.00 2208585.00 2592206.00 3253931.00 2703817.00 1903270.00 2860538.00 2662730.00 2614220.00 2623268.00 1967832.00 2388998.00 1848366.00 3175775.00 2011852.00 2507750.00 2454016.00 2705387.00 2667615.00 2715967.00 2755251.00 2272234.00 1956424.00 2490290.00 2423854.00 1686801.00 3484191.00 3223455.00 3043139.00 2724494.00 2542212.00 3441268.00 2343206.00 2719899.00 2482194.00 2913590.00 2520094.00 2452176.00 3750188.00 3896544.00 2124712.00 2136448.00 1938914.00 2555757.00 1735447.00 2262398.00 1603696.00 2171706.00 2492709.00 2382694.00 3101656.00 L-proline 853982.40 552094.50 787344.20 1154772.00 593957.40 822079.70 651664.20 622667.50 752254.60 776093.70 764985.90 762743.10 526141.10 995384.50 978114.90 563863.60 1425434.00 567394.00 626108.20 1267777.00 1129464.00 926756.30 798804.80 928031.00 657499.80 709254.90 579316.00 1427049.00 759296.80 727657.60 809460.30 839437.30 1082132.00 1000212.00 754826.80 1311918.00 579045.90 609213.30 442506.20 535535.20 946754.00 822140.80 805499.30 612637.80 840777.00 860006.90 1015092.00 867978.00 827364.70 1101819.00 553555.90 698519.80 939091.50 492165.80 660856.00 653633.80 709572.80 699311.90 579084.00 561978.90 617670.40 649072.70 1163929.00 823793.00 566625.30 612327.10 844944.00 743897.20 978777.20 714303.50 800102.70 564956.70 913741.50 910917.80 625858.00 1270404.00 881295.10 548461.90 849696.80 1081440.00 896535.40 1097917.00 1093359.00 477963.20 603094.30 496513.50 919639.50 762324.60 816302.00 767367.60 1014496.00 550543.90 782875.10 652378.20 521422.60 546724.30 615820.40 708510.80 733603.20 729600.40 L-serine 245934.20 178759.00 203120.50 164168.90 194287.70 187850.90 204474.40 142573.30 153512.70 219334.60 131368.20 191875.20 119527.90 133829.80 129288.80 182763.10 236515.30 147793.20 168808.90 143782.70 157033.00 141488.70 197341.90 165170.60 110341.60 248256.50 141943.40 227661.90 139535.10 150505.10 150493.20 119393.50 161053.20 287573.00 141178.00 191444.40 170025.10 158560.70 157699.50 147573.70 178500.10 167102.50 192268.30 129595.50 192697.30 170204.50 154248.20 185631.10 143348.40 166798.60 154354.60 211843.40 117507.80 135189.00 198801.90 183768.40 120692.50 170423.70 104575.80 149578.00 208005.00 137921.10 227806.00 138507.60 148816.30 169642.60 154049.60 191903.20 199775.30 202466.30 159679.20 154042.80 189637.20 131557.30 174438.80 165197.40 145090.50 183564.60 116450.30 143040.20 133857.10 140863.60 136515.40 169833.90 156275.60 155632.20 103148.60 136087.90 173430.00 165429.10 150482.70 160790.10 156966.50 150992.50 133945.50 158990.30 168743.80 162521.80 189881.20 162751.20 L-threonine 1096201.00 939679.20 1331114.00 825629.70 1095042.00 933367.50 982754.20 851855.50 1100798.00 1463076.00 1218010.00 1860644.00 604075.20 963141.30 647667.70 1263738.00 2296974.00 793401.70 814205.80 1137210.00 1438090.00 791216.20 1682264.00 1012730.00 1277469.00 1697180.00 1157465.00 1832967.00 1525136.00 1096970.00 949285.00 846200.00 1211081.00 1794455.00 1179768.00 1087284.00 950610.80 1160041.00 1321793.00 668849.50 1776059.00 1133988.00 1514887.00 899504.20 1620533.00 1010749.00 1303998.00 1254088.00 1362188.00 1275117.00 1105746.00 1475982.00 1573829.00 1172396.00 1665655.00 1763560.00 975059.40 961483.30 1092670.00 1367390.00 1258717.00 810399.70 1944611.00 1030796.00 1933171.00 1423716.00 853335.60 2007879.00 1669590.00 1067696.00 1086646.00 805718.50 1482716.00 1111965.00 954419.30 1733824.00 731389.20 1277452.00 1147478.00 885948.50 1296015.00 1381405.00 1335403.00 1114545.00 1724869.00 1476981.00 880396.70 1248976.00 1515299.00 1112080.00 1377426.00 1245718.00 1432852.00 804486.90 2442467.00 1192972.00 962137.70 1232697.00 896596.10 1097709.00 L-tryptophan 4885535.00 7084628.00 5694200.00 6860068.00 8071552.00 5698540.00 6638288.00 4790502.00 5293218.00 5557784.00 8384632.00 4525224.00 5984282.00 4505948.00 8670649.00 6134974.00 8875431.00 9210879.00 5123302.00 6547320.00 8695413.00 6017646.00 10149360.00 10262400.00 11594730.00 10835650.00 7966452.00 11431120.00 6783738.00 6310682.00 7412838.00 4690094.00 9559679.00 7941040.00 6135084.00 8997657.00 5850494.00 8417112.00 6510816.00 6153226.00 8371348.00 5594470.00 7924884.00 9893032.00 8273842.00 8307942.00 6319910.00 8271198.00 6050396.00 9942211.00 6355476.00 4815776.00 7969720.00 5403242.00 7574426.00 8478665.00 4826700.00 4311290.00 5816314.00 5137596.00 7681536.00 4780282.00 8582424.00 4172585.00 8473771.00 8159676.00 5310120.00 13777460.00 5199254.00 5302262.00 6015166.00 4397938.00 9041106.00 6609498.00 7159948.00 9250239.00 5920066.00 7331748.00 8226986.00 7344356.00 6453792.00 4514246.00 7594584.00 6919242.00 6655510.00 6495854.00 4925048.00 9123264.00 5380970.00 6963212.00 6375878.00 5928940.00 4957397.00 4556014.00 8244710.00 5568662.00 5969966.00 6188182.00 5192856.00 7014352.00 L-tyrosine 2476184.00 1896395.00 3310657.00 2328173.00 1909149.00 1779978.00 2310349.00 2266158.00 2477046.00 1513436.00 2654218.00 1882974.00 1806762.00 1662549.00 2379078.00 2231355.00 3924515.00 2863151.00 1735546.00 2657555.00 1947829.00 1926366.00 2978403.00 2713425.00 2796064.00 3042124.00 2119023.00 2727154.00 1818494.00 2993168.00 1562101.00 1626445.00 2993689.00 3288685.00 2250662.00 3667186.00 2437427.00 1850831.00 1773476.00 1477516.00 1987734.00 2390148.00 2618645.00 2339093.00 2412375.00 2357741.00 2514951.00 3128073.00 1937497.00 3409148.00 1712938.00 2497098.00 3120033.00 1826564.00 2289485.00 2816561.00 1919906.00 1768776.00 2294775.00 1995912.00 2192168.00 1529565.00 2925528.00 1930500.00 2507617.00 3152576.00 2339857.00 2051776.00 3560884.00 3891228.00 2411578.00 1998111.00 1910880.00 1946164.00 1911166.00 4702348.00 2829307.00 3708918.00 2838372.00 3422689.00 2147247.00 1677163.00 2541929.00 2422737.00 2030239.00 2320407.00 1971496.00 3094537.00 3541219.00 2340954.00 1144396.00 1713712.00 2282728.00 2215641.00 2193066.00 2005840.00 2013037.00 3968536.00 1895879.00 2427407.00 L-valine 15515780.00 9881193.00 16629790.00 23996910.00 10552890.00 9706283.00 12526730.00 8091046.00 11116020.00 14589410.00 13790950.00 14852910.00 14096770.00 9062193.00 20241260.00 12783000.00 19117680.00 12654630.00 9322904.00 16411470.00 13928200.00 10122840.00 20718470.00 20767770.00 10245100.00 15476000.00 9904461.00 19659650.00 14141070.00 10988380.00 11437660.00 13070700.00 15763640.00 21915400.00 10632630.00 19307790.00 10321580.00 10769920.00 14038690.00 11936840.00 20821040.00 12991740.00 13190710.00 16532920.00 18156260.00 15575440.00 13001650.00 14922050.00 11999860.00 16703320.00 10401970.00 12443670.00 14072940.00 10370090.00 17138550.00 12388360.00 13811100.00 10605800.00 11276050.00 13338030.00 10245260.00 11599480.00 21652470.00 9316727.00 13158200.00 13202260.00 11530110.00 11249450.00 13511100.00 13753360.00 13048040.00 7832782.00 15114980.00 13589260.00 12487210.00 21212530.00 11859170.00 10310560.00 13496700.00 12072590.00 19186410.00 11523520.00 15210110.00 15907220.00 13374820.00 12885110.00 13076150.00 15273990.00 9016319.00 12022220.00 6664010.00 9784795.00 13927320.00 12426540.00 14125450.00 6994742.00 10943080.00 11168570.00 13314560.00 14533660.00 L-cystine 22875.88 20412.17 14252.61 13376.24 45126.39 27204.90 25022.06 24483.81 22406.63 25594.67 26880.37 41386.32 28306.02 23795.52 36295.92 20697.24 26704.27 26826.79 37028.44 28654.06 39800.37 13354.79 31341.97 31392.77 23201.94 11033.70 38869.39 49146.19 9556.30 44025.70 31880.41 40650.32 35536.35 24116.54 41986.15 25411.94 31080.84 19628.61 12165.30 20356.38 26820.84 28973.23 34613.57 32851.24 31778.10 34201.67 27910.51 8032.82 30661.11 7071.13 32379.94 27443.81 44604.27 60282.01 30388.87 35819.61 32320.01 42852.45 16028.06 17991.55 41134.62 40715.83 39314.12 20605.34 39132.33 29928.18 11493.42 34056.89 45120.17 28827.55 37524.16 41165.99 25602.32 52054.79 47750.29 22165.05 41135.72 30198.04 32921.93 19400.63 48193.27 44311.17 29217.98 22222.86 45343.62 18765.52 36018.16 19388.21 35879.04 39892.02 40257.00 33949.29 20607.97 39536.67 26202.94 9817.98 11555.00 39141.10 37557.24 35997.20 Hypoxanthine 1673536.00 1273274.00 1250483.00 1400795.00 1790116.00 1755738.00 1915243.00 2060758.00 1569937.00 1566526.00 1522646.00 1317627.00 1315617.00 1219827.00 1098111.00 1500757.00 1366585.00 1651370.00 1749932.00 1780966.00 2025110.00 1137189.00 1201264.00 1164894.00 1429633.00 1542535.00 1378535.00 1483097.00 826688.60 1888651.00 751434.90 1231797.00 1295164.00 1236893.00 1589523.00 1622709.00 1161833.00 1322672.00 1168920.00 1687654.00 1163594.00 1330444.00 1408689.00 1621407.00 923423.80 1675256.00 1922257.00 1482314.00 1620560.00 1418811.00 2157074.00 1376825.00 1024867.00 1101496.00 904486.70 706196.40 1392736.00 1132694.00 1072689.00 1370017.00 1728341.00 1562233.00 1034743.00 1072348.00 1005966.00 1976885.00 1162656.00 1023400.00 1347506.00 1671788.00 1196304.00 1144793.00 1095119.00 1148794.00 1111658.00 1420955.00 1687345.00 1112023.00 1330320.00 1779922.00 1057975.00 1156854.00 895264.50 883569.30 924191.50 1056495.00 833263.90 895191.20 1805867.00 1593419.00 926146.80 1198901.00 1843152.00 1726242.00 1173501.00 1497064.00 1740962.00 1502434.00 1057293.00 1345831.00 Xanthine 145286.30 142706.50 121599.30 141556.90 253392.60 109906.80 152670.30 137726.80 114596.70 116268.90 120422.50 107424.30 97313.65 109401.00 102915.10 194114.90 157813.00 149988.90 266331.60 166326.60 268623.50 134774.50 224219.60 212054.20 247321.70 148918.80 156259.80 228440.20 119012.90 129714.90 219413.10 281172.10 252332.10 110994.60 130638.30 234765.40 152821.20 257558.00 144205.80 203782.90 232024.90 159622.40 210551.30 224948.50 155787.50 227724.20 405862.80 111339.70 130597.00 146402.80 112950.20 92182.72 168424.50 188660.40 157786.90 119752.10 96352.66 84915.21 208379.90 125989.90 178571.30 149224.00 144718.50 120684.90 82294.12 207713.90 121153.00 147200.90 111545.20 91296.48 125018.80 169700.00 142385.20 168647.60 99680.84 80779.65 109397.80 141163.50 133078.70 169614.70 75652.44 144670.20 92583.27 123144.50 90570.85 98413.16 118369.60 139026.80 105841.00 158744.80 113787.70 170284.50 130009.40 145296.00 125067.60 132502.70 99080.12 137428.80 86349.49 184949.50 2',3'-Cyclic CMP 0.00 73074.97 40108.37 9897.49 26897.51 1737.64 1663.34 5140.44 6291.86 1511.84 20638.39 0.00 6648.10 7426.04 3320.51 93682.57 6240.92 163964.30 69811.74 36670.44 45627.14 11195.94 45730.00 3080.30 61932.52 27583.59 10242.74 20097.90 3778.57 49103.27 8709.64 9265.50 99659.34 16210.22 1887.67 145365.00 5052.25 13326.63 114065.20 77653.26 9220.84 2168.76 84376.38 2613.18 52687.82 6752.06 57283.69 87694.38 67202.82 96620.59 7694.52 94846.76 57368.89 87493.06 2292.54 23418.12 24741.43 10240.79 54358.04 66871.59 7016.18 3034.06 51427.73 52136.11 19263.89 55311.14 1893.84 117101.20 25105.06 23478.02 30093.67 7705.61 70599.88 121004.70 67981.65 64862.70 15661.92 42112.24 46270.03 40028.54 33013.89 20753.08 77289.97 7128.55 29679.49 56475.09 41992.79 26678.88 65125.22 99394.20 3353.29 91233.90 46280.69 17529.11 41191.75 1676.30 13825.40 26969.60 2702.99 49328.52 5-6-Dihydrothymine 1846378.00 843603.30 868534.80 1129731.00 2067801.00 671677.20 1295241.00 961921.80 1163345.00 4032613.00 1848975.00 644453.80 415191.90 1751052.00 1271284.00 1208072.00 583385.00 1328860.00 900718.00 745187.70 1033264.00 513997.50 2118332.00 2852105.00 2148270.00 523141.50 736542.30 769746.00 903444.50 900708.20 1178263.00 819740.30 1549166.00 3300956.00 392219.40 875713.70 583986.50 1053403.00 1940938.00 1870538.00 3127210.00 1727695.00 668262.50 492640.30 1413200.00 4376276.00 778655.80 1333640.00 1027361.00 1282569.00 1106035.00 799048.20 992690.10 573749.00 870026.30 2444043.00 1401882.00 724065.30 707714.20 1636148.00 638903.30 779070.30 349628.00 447262.60 464142.50 522564.20 406024.00 585451.60 568965.80 353106.40 570796.30 459863.50 556410.70 3379809.00 315225.80 1027978.00 847361.60 390898.90 874189.10 414601.60 1311770.00 432691.10 344107.10 397453.00 661472.00 483180.80 436470.80 1802089.00 396786.80 932033.30 528808.90 495239.60 807409.60 556449.80 254356.40 469859.60 483303.20 692651.80 1763207.00 697736.60 Pyridoxamine 5'-phosphate 166145.50 227559.10 145634.10 221657.80 231260.20 210590.10 277726.30 188702.30 225118.90 211620.30 320098.80 154811.40 206468.40 80703.96 311541.70 184969.60 289951.40 335246.40 145551.10 208154.70 242656.20 194551.60 319083.50 303700.20 280866.50 373731.70 253598.70 291007.90 162919.50 239620.20 174202.50 137363.40 271305.60 256059.80 204783.70 268102.80 167997.70 143853.90 112927.70 182909.10 202438.90 140721.20 222302.00 285820.10 222448.10 296439.60 176631.50 221967.40 198061.20 311566.60 206158.10 143229.70 207817.20 153652.70 218624.10 285324.80 172406.40 122944.40 171323.80 143817.10 225620.90 142599.20 237462.60 125766.50 233013.60 217479.50 209573.60 315605.20 173539.30 144032.30 215348.80 84914.34 239740.50 185595.90 260846.40 313860.50 166625.70 185185.00 249704.00 236296.30 206122.20 149516.50 249629.70 202105.30 249178.50 185784.50 125426.20 256594.90 181172.50 198571.10 185710.80 180770.20 154039.10 136701.00 261758.80 175115.00 236131.30 207080.20 175939.60 191979.90 5-Oxoproline 5685032.00 4236766.00 6589848.00 4640746.00 5806794.00 6404422.00 5669228.00 4441604.00 5391123.00 5502782.00 6241492.00 6499078.00 4552276.00 4578054.00 5838054.00 5877906.00 6534344.00 5278726.00 3945822.00 4851574.00 6593744.00 4296202.00 6197974.00 5742862.00 4554170.00 5906272.00 5517148.00 5420175.00 4600803.00 5846786.00 4420331.00 4433638.00 4521300.00 7042738.00 4766316.00 6577606.00 5337784.00 4971112.00 6651612.00 4694854.00 7673878.00 5639184.00 6445210.00 4212507.00 5464624.00 5024618.00 5843142.00 5353934.00 7117804.00 4554286.00 4829558.00 7754938.00 6284042.00 5466662.00 4962020.00 6671064.00 4868636.00 5581448.00 4955096.00 5200109.00 5507587.00 4430354.00 5799234.00 4381880.00 5416708.00 5288748.00 4378652.00 6964480.00 5548698.00 5723790.00 4635766.00 4226724.00 5737920.00 4701724.00 4137685.00 5074908.00 4384778.00 5445712.00 4946022.00 4858270.00 5169704.00 5421074.00 4821238.00 6474766.00 6536042.00 5296758.00 5998754.00 5335967.00 5705006.00 5059899.00 5202902.00 5063437.00 5065471.00 5712106.00 4417488.00 5342318.00 4323046.00 5505798.00 7271162.00 4506368.00 Ascorbate 2884566.00 3141460.00 3228240.00 2425288.00 2383116.00 2992490.00 3856525.00 2217595.00 3134611.00 412599.20 3091427.00 3077872.00 1247510.00 2398036.00 2258413.00 3129913.00 2058771.00 2849063.00 3034074.00 2462741.00 3203084.00 2838274.00 3081110.00 3253463.00 2712248.00 2589605.00 2249035.00 1854378.00 2403242.00 3550310.00 2436025.00 2476225.00 2947463.00 2818129.00 2867781.00 2122090.00 2529160.00 3422810.00 2122759.00 3357851.00 2553571.00 3126721.00 2554063.00 2102578.00 2462166.00 2374112.00 2461814.00 2926327.00 2007094.00 3072112.00 1771884.00 1788051.00 2358483.00 3209637.00 1791810.00 2216517.00 528126.10 1062368.00 3017970.00 2489944.00 1984284.00 2616649.00 1567604.00 3308961.00 3378225.00 3098418.00 2556322.00 2784649.00 2664754.00 2674420.00 1835150.00 2059029.00 1992278.00 2815981.00 2210689.00 2310832.00 1629351.00 2505416.00 2491211.00 2920347.00 2178757.00 1696672.00 2358872.00 2250140.00 2480009.00 2259419.00 2893228.00 2922601.00 2689334.00 2909048.00 2413364.00 2064953.00 1411250.00 3450124.00 1436604.00 2585769.00 2849582.00 3063025.00 2287559.00 2444776.00 gamma-Glutamyl-Se-methylselenocysteine 376774.80 299889.50 306411.40 315313.60 322108.80 344146.60 315721.70 177378.80 265935.50 336813.30 291363.80 362525.90 256675.00 295660.30 283069.30 348785.00 261682.80 297166.50 183420.20 238125.40 321724.70 243409.60 481049.10 393563.90 329754.80 388438.80 263366.80 448817.20 270031.40 242586.60 438415.10 299714.20 449290.80 364075.80 270097.00 366538.80 393784.50 398539.90 366477.10 425171.40 432019.20 396228.50 367221.00 454199.90 427444.20 267985.30 397018.60 260021.70 338667.90 366443.20 271246.00 188070.70 408956.80 418663.00 397877.00 483130.20 419705.20 223409.30 347188.10 309064.00 284076.70 326802.10 384038.20 370373.70 273525.70 321886.20 343811.30 391597.90 278831.30 225854.80 281084.30 428387.90 347440.70 348157.70 324460.50 290601.60 155071.90 348649.30 309400.00 275703.80 355615.40 344400.80 347356.80 459918.70 330395.10 403274.40 389423.00 374056.30 198265.30 337894.30 316765.00 372784.90 373095.10 309278.80 373300.40 353262.30 220801.70 289764.80 230566.60 383197.40 gamma-L-Glutamyl-D-alanine 57723.27 31010.96 38331.27 47932.34 68576.69 55568.61 46964.38 40003.43 50521.89 21440.52 44665.95 34075.66 28104.74 53095.14 29725.71 55702.91 36277.77 30499.40 51796.04 38469.84 62774.71 52068.88 51951.19 42589.95 50643.94 28815.23 39970.98 62979.80 22419.78 72634.57 43267.07 68344.45 51137.73 41393.00 47221.73 65867.43 33076.98 52642.46 34672.61 53620.33 40039.08 51906.46 77125.84 44278.31 47237.27 42906.94 43323.34 47065.75 70218.82 16378.95 53000.39 45082.06 51826.76 82421.07 34718.59 54241.34 81503.94 48157.14 49133.44 26830.72 45656.96 66966.84 49243.63 46146.76 32209.06 62114.57 35262.31 57860.21 31404.48 36929.37 42243.23 51641.04 46030.94 61020.22 34887.86 22728.81 75302.72 68749.93 46659.62 66059.95 48012.66 92117.06 48628.62 51521.60 57668.36 33254.58 37070.61 40965.98 47903.70 61831.32 43854.82 31052.72 47712.28 60448.73 22000.83 40123.22 47021.96 48327.25 65397.67 68479.74 (5-L-Glutamyl)-L-glutamine 75608.20 60010.14 83211.31 58659.14 90871.56 55062.65 75941.93 59568.38 60318.89 74048.54 68921.16 88064.73 67329.81 78090.55 94457.81 74430.01 99328.94 78482.88 40980.21 73384.21 55971.04 50847.61 85842.54 44213.84 78168.88 108181.00 74875.24 111524.90 85863.72 93203.38 82817.21 51867.98 50745.64 107664.20 46234.12 82766.26 114681.90 84834.60 92799.24 96931.37 80092.68 93188.69 100443.80 57732.44 56328.86 76317.18 130771.30 104423.60 115602.40 83145.60 111543.40 93748.38 130958.90 74586.12 72802.00 94296.88 77452.99 80780.95 109772.70 78617.57 68222.80 58838.49 75816.10 69377.66 82852.30 57469.02 63075.21 165685.60 72269.26 79412.79 98259.65 63777.45 99164.73 71887.18 78727.38 75694.23 63200.61 71613.28 129786.60 59259.40 84959.87 83819.45 65662.43 114443.60 92947.34 124508.40 59979.34 70842.90 118779.10 110458.30 83500.93 52772.32 116837.00 82651.84 78033.07 81071.12 25324.02 78580.10 78436.91 74490.31 L-Homocysteine 61812.19 79715.39 68086.52 51154.59 34137.48 89325.70 58520.51 25490.37 37479.08 72222.01 74221.78 84128.37 20627.91 36423.45 47573.29 61678.91 96906.41 63045.67 46439.80 29192.76 65533.16 37390.05 111870.50 65904.20 40244.76 94775.91 50381.32 68549.87 98943.63 62131.30 104521.70 17376.79 25884.13 105668.80 46966.17 62175.25 52167.79 74083.45 394336.80 59956.70 147521.20 73359.86 40138.64 35223.11 72047.30 61500.88 50073.88 49623.89 112772.70 34447.96 52590.43 24851.79 78443.60 19745.62 41807.26 70357.65 31390.05 19161.35 46130.35 51227.96 65611.61 43117.60 77928.66 36333.81 55404.64 8340.38 47636.78 31183.38 58361.78 20633.60 29403.60 23982.15 41303.67 54066.39 9182.20 56603.08 35801.97 56583.72 60211.75 21006.80 56550.30 48249.61 31138.10 40083.94 58905.35 50642.50 38202.79 104222.40 5736.17 14922.56 66988.05 76871.74 41910.00 42621.64 50421.27 34419.96 29374.66 79236.59 76682.25 44020.18 Dimethylglycine 658680.80 635149.10 1406039.00 577461.90 907795.80 636210.40 673860.30 496564.20 600016.70 718588.90 601468.40 714357.80 549633.30 911171.30 616655.70 533043.60 768476.80 545370.30 558248.10 830706.80 674464.30 629462.70 1111763.00 679229.60 543537.60 1104150.00 662900.20 1082513.00 1073478.00 842116.30 490226.00 688641.20 763515.20 1274831.00 778771.50 1161542.00 652012.60 608050.90 657025.60 554860.10 938288.40 670298.70 710414.80 885818.20 729274.60 962955.00 787077.70 1001912.00 612027.70 812840.00 540337.80 604508.80 744514.20 556068.60 1051417.00 874008.40 966131.20 1016686.00 675340.80 431683.20 465126.30 1116237.00 981327.70 632245.80 683758.90 938970.80 722240.20 718756.20 477532.40 799767.30 732493.90 411774.90 658624.20 727845.70 1177664.00 696176.80 1158461.00 485078.20 448371.00 492312.50 1092258.00 762334.60 989340.20 811654.40 579940.50 639955.20 511191.20 832142.30 491006.20 449874.70 642072.40 771635.50 485348.40 1093848.00 643522.20 380689.50 710377.40 620346.80 815529.80 651051.80 Ornithine 116310.60 150878.90 147248.50 242533.70 306013.50 177287.20 235125.50 119115.90 185763.60 344392.40 166110.40 199972.80 175389.30 180961.20 141490.20 196087.30 310601.70 194962.10 215359.50 247552.90 311953.20 160053.10 282266.20 342689.30 334065.40 237507.90 229198.10 368814.10 230648.90 181728.50 246805.90 528385.40 230076.80 186926.50 138736.70 372619.70 240381.50 282416.80 415019.40 249840.20 501482.00 330734.20 287883.70 225228.80 305924.80 313116.30 187792.40 242664.70 219332.20 292397.10 224304.80 123434.00 302337.70 266236.30 461681.70 450722.20 206372.40 170160.20 288586.60 196537.30 277901.80 165547.40 320119.70 302822.80 281155.70 299259.80 291375.50 348536.70 231502.80 257097.30 197762.00 194147.00 362540.30 266785.20 199848.30 191319.90 254030.70 391412.80 220912.10 291728.00 167398.00 222267.70 283368.40 284997.00 336983.60 255812.10 387315.00 377562.40 212229.50 228633.80 189129.80 258001.90 212660.10 245350.60 161608.70 160234.60 176478.00 339406.50 220353.20 324879.90 L-Citrulline 182503.50 114652.40 158511.80 137208.40 143915.00 171401.10 105417.60 62871.37 171868.50 254808.70 179313.70 263531.30 102452.10 241038.00 139749.10 138835.20 335241.10 155163.90 94963.53 97543.41 203632.60 70617.23 295480.70 234571.90 158216.00 183738.60 194288.10 353124.80 188097.10 164029.80 173698.90 151509.20 219375.30 174523.80 111345.30 179197.60 183834.20 198588.80 196640.90 117259.20 420206.80 250790.40 175664.00 77827.20 247594.20 290841.80 194029.90 199172.00 293790.60 212372.20 114987.90 164310.50 282181.60 154359.50 172920.70 270905.70 139285.80 125137.60 143441.30 161822.80 139220.80 110262.30 290360.80 169715.20 119635.80 130277.90 170930.00 176554.60 183349.60 126095.50 96607.57 103970.50 197790.10 125451.30 116311.60 196827.50 101041.00 179596.90 154163.40 147294.80 111939.90 169524.70 168889.20 154611.20 141394.40 139613.30 122273.80 214795.80 191543.40 96314.18 143530.70 183515.90 294500.70 170361.00 132612.90 82977.74 63023.19 130776.20 144295.00 107870.80 Spermidine 517061.30 374845.00 520394.10 444046.70 510397.40 692789.80 468031.90 565916.60 488031.60 451368.60 393038.90 452287.00 429707.20 479598.00 462663.70 540600.70 651255.70 758686.70 282508.70 613146.40 577998.40 476510.00 683097.20 538423.10 347939.10 640135.80 384195.20 544083.40 491787.20 347571.20 328936.40 543655.40 675985.10 639169.40 520081.80 439904.00 386719.60 456735.40 542093.80 361816.40 757024.00 342863.40 713678.80 450226.00 289737.50 530604.20 390088.60 567489.40 638351.50 411233.40 265104.30 617727.20 320105.70 342079.40 498555.30 562685.10 354997.70 504067.10 451247.20 422967.90 348058.40 337384.10 488172.10 367336.60 288865.30 477519.20 681976.70 300895.20 444519.90 402255.50 408358.70 260243.00 386210.70 401382.20 406782.30 351291.90 459355.00 374120.80 346309.60 330532.30 411772.80 458054.50 324061.30 387933.30 534013.20 544159.80 322840.10 597146.90 455390.80 295927.80 466404.80 357520.80 414738.60 242575.80 387419.30 275955.80 485283.80 450154.30 548573.20 446341.20 5-Guanidino-2-oxopentanoate 10453.08 12929.17 26971.06 20045.76 23488.33 17793.88 10953.07 0.00 22909.87 367046.20 13326.15 257351.80 5620.37 13565.18 16143.60 20286.97 28678.46 22620.64 19625.96 18367.39 43068.42 12237.93 14602.41 28399.41 25206.40 3883.36 53535.57 65675.87 17305.75 27243.60 18645.02 115525.30 34714.00 33358.54 9705.35 6752.07 10381.73 34725.92 18694.29 19347.34 0.00 43975.40 49471.09 26112.17 3655.78 149025.50 25902.42 49486.99 21479.34 63819.95 23214.46 7508.11 30459.88 149969.90 10784.49 14483.65 27073.35 24994.91 7084.72 18165.68 33658.35 181251.00 30609.19 27065.66 4207.47 15839.50 85719.64 13284.14 24534.53 10214.70 6273.06 8534.70 19512.37 22816.23 17264.96 33511.43 20085.40 12498.49 60165.75 19807.10 9807.14 20041.91 13676.85 17867.62 73856.88 7757.76 20080.34 26325.29 124967.00 15872.61 17955.64 18310.74 30553.54 37815.83 6881.56 12264.26 17404.96 11721.49 20387.22 115356.20 Creatine 35180880.00 36234480.00 41223150.00 51075220.00 31443630.00 49542690.00 26045820.00 29955130.00 37106440.00 49679120.00 43055100.00 44984480.00 37565990.00 45914140.00 41741280.00 31084490.00 50601690.00 37839080.00 39029400.00 41647380.00 50313710.00 31073500.00 48015230.00 39214820.00 39898920.00 54068830.00 33986500.00 50672710.00 57667830.00 32306710.00 38807570.00 52012850.00 48855900.00 51773320.00 53878520.00 35767120.00 43291780.00 50407060.00 33801110.00 37512650.00 40024050.00 43995240.00 36249240.00 41176260.00 35042920.00 41528400.00 53010170.00 55221550.00 40312610.00 45536010.00 40567790.00 48313400.00 51094140.00 35731480.00 48138560.00 49893100.00 44393550.00 50329950.00 38198620.00 39352520.00 36136420.00 34728020.00 57199760.00 42988680.00 35972450.00 50984170.00 41891870.00 48291020.00 51662510.00 43096470.00 38295000.00 34682770.00 40145880.00 45339330.00 40106000.00 64094300.00 50389640.00 36329700.00 40431930.00 35888970.00 43579310.00 55491390.00 43631020.00 53546360.00 34528460.00 48467170.00 53117730.00 30722900.00 56794050.00 44626280.00 36709520.00 47329840.00 34070200.00 48408900.00 45837020.00 42951430.00 41025640.00 46654040.00 41033910.00 47631890.00 Creatinine 48078100.00 29637910.00 30670920.00 47001310.00 39042370.00 35986220.00 37015880.00 40736630.00 26748740.00 39915330.00 41370660.00 40731670.00 23646480.00 64402170.00 30694740.00 41987680.00 32680470.00 41696950.00 50397020.00 43342430.00 56884280.00 35579720.00 42071700.00 54847650.00 41351210.00 31634610.00 33167470.00 43179760.00 35782400.00 50052940.00 30801720.00 51565680.00 56105010.00 43045580.00 47034260.00 50280360.00 43138860.00 41963790.00 29549150.00 50653790.00 36585290.00 51793620.00 39256570.00 42196620.00 37718340.00 57874130.00 56045100.00 43881760.00 43560880.00 41611470.00 52091150.00 44857880.00 51319290.00 45398740.00 42579450.00 44929720.00 37334220.00 39573730.00 35404830.00 43635230.00 45394810.00 51347380.00 55242140.00 46311760.00 27158430.00 51332240.00 39304630.00 43098070.00 41137050.00 29395560.00 41896180.00 44414320.00 48582200.00 50654930.00 41876180.00 35967360.00 45437580.00 42741720.00 48882610.00 55372120.00 47713390.00 39880750.00 40842910.00 44876810.00 33583200.00 38041990.00 45927440.00 36767240.00 50511840.00 48044440.00 42455840.00 39985950.00 43582200.00 48293360.00 36316000.00 39913710.00 48896420.00 44920340.00 47072630.00 58110990.00 4-Acetamidobutanoate 438507.00 296776.20 391147.00 389339.10 552782.90 262454.50 459810.00 261968.40 342753.10 342986.00 394968.60 376311.40 324981.30 246505.00 331982.50 500575.60 422707.10 482223.30 554551.20 391418.00 504068.70 349456.50 332012.00 531630.00 417436.80 504163.00 261255.40 351285.40 304137.70 467217.50 286940.80 398032.20 458090.30 310139.90 420604.90 450740.00 386160.80 433906.20 344618.50 424911.20 362957.00 230159.00 446829.20 341985.20 357069.20 424990.10 336518.70 357646.80 384989.70 419161.10 355982.20 314191.80 330071.40 389614.80 316381.30 309768.30 296319.80 277017.70 311203.60 367268.80 377932.30 377668.70 353094.40 315777.60 297562.80 461230.20 424071.70 353949.50 296407.80 362589.00 372055.20 378405.70 326158.90 418821.90 289555.10 334849.00 443493.80 352173.40 526320.30 491806.70 331591.20 366476.30 289439.60 260126.40 449799.70 325183.10 309768.50 562672.60 386933.10 400234.50 290347.50 332391.30 366688.00 446238.30 306477.30 267921.90 413238.20 376501.20 453993.60 329079.50 N-Acetylornithine 91009.06 45256.57 153750.10 75492.13 243772.10 100370.40 78735.47 219117.50 212072.00 626481.00 118245.80 533718.30 61654.94 110129.70 74483.48 182911.00 126334.10 243745.10 152538.60 152294.90 98940.93 73169.51 222553.80 220530.10 96710.16 25608.99 244696.10 728998.40 86724.41 57043.12 112645.30 148839.50 567074.80 419023.00 116601.70 384788.70 82560.72 180413.90 219470.70 47393.78 78349.68 265316.10 123238.00 136355.70 98075.46 303689.00 44991.75 140455.10 185617.70 199288.90 134247.20 118311.70 103406.10 313397.50 55465.92 329369.90 55984.25 98922.00 186852.00 98737.25 58752.73 280444.20 146572.80 174038.10 213134.20 96672.38 495018.80 82142.15 106760.10 104303.90 73106.73 61768.87 47143.98 240160.50 56393.86 82553.10 135103.70 120674.00 323310.80 59009.77 82909.98 146610.10 112866.70 80336.50 238252.90 59935.84 49070.32 116877.80 242949.90 43153.76 41513.49 45765.05 55441.41 91230.72 57112.19 104863.20 90368.71 60798.36 224188.60 371122.40 trans-4-Hydroxy-L-proline 1473549.00 959605.60 691730.60 1252982.00 1185572.00 553023.30 1146934.00 571447.80 981996.80 653154.80 931381.20 927215.50 889805.80 681169.50 857023.50 990765.40 781670.50 1032537.00 1326368.00 794652.30 1163186.00 1043287.00 848619.70 925714.20 1025509.00 950318.80 818631.90 778822.30 892134.80 1466184.00 657183.80 891166.20 887841.40 495530.40 855941.00 1165099.00 984394.50 812795.30 671169.60 971863.70 829767.80 688002.60 1510670.00 648052.50 784675.20 745329.20 921529.00 627086.40 1056710.00 913533.00 1240568.00 849405.50 1016769.00 896212.80 928044.80 788408.60 1095426.00 1143870.00 760761.80 896624.70 1675312.00 1353117.00 819280.50 941809.80 877537.20 1164094.00 819501.90 1062326.00 963637.10 809634.10 994186.90 977731.60 1008574.00 1726840.00 904624.20 799811.60 1268257.00 956422.60 1311872.00 1772775.00 997250.20 889386.30 959021.20 840747.90 1210567.00 913164.20 724773.30 1452392.00 1536657.00 1192566.00 1013722.00 1039400.00 1051663.00 1360260.00 761818.70 686865.10 715270.40 896694.20 1428181.00 1216520.00 Taurine 43522.25 72025.17 64344.59 58282.52 32901.82 54970.78 39281.92 40520.44 55198.78 33653.88 21993.98 61742.32 61237.38 34494.86 53043.33 46914.30 88083.91 73362.80 63603.08 68563.29 62693.33 59259.12 51763.39 44691.23 54889.25 59567.97 34729.27 38780.32 57560.59 42421.88 44356.38 65876.25 85125.26 48043.17 73580.29 56720.74 47351.34 60325.05 54834.96 63052.24 45769.83 64401.75 48909.57 54299.67 26307.85 42805.91 61186.44 56772.28 45432.50 64895.31 16233.66 50294.10 63228.83 45273.18 55935.28 35746.13 59346.96 36914.64 50713.08 56634.60 41005.67 24807.22 48617.95 39681.36 40095.34 36826.05 44178.31 55155.05 41786.41 43937.30 46168.04 47768.83 56215.66 72050.43 51344.97 51744.04 44214.33 37796.20 74940.59 67650.86 58278.11 39664.24 49993.77 54241.64 63539.19 76162.10 53777.92 40654.91 50691.83 63924.63 44420.25 42920.53 41614.59 62826.18 57516.48 46161.46 40831.05 45670.61 36616.51 57794.19 L-Methionine S-oxide 99714.84 65875.45 137470.30 105162.60 142063.50 109336.00 101132.10 103921.10 105031.50 105828.50 153132.90 128445.20 92910.38 107360.10 88551.56 107128.80 196967.50 135995.80 78053.15 162122.50 105525.90 92623.29 123193.90 130918.10 108966.20 136394.30 100567.10 129530.90 93888.44 146066.00 102203.70 82732.66 97874.60 174825.30 140786.20 153900.00 78394.98 86466.82 128431.40 88908.24 138500.50 102374.40 131014.30 119708.20 98683.02 100603.20 97796.37 165757.30 143481.60 101105.10 101171.90 173354.60 126734.60 87358.38 133115.90 151781.70 123432.30 122632.00 122935.00 122226.50 97732.71 80080.88 153046.20 113754.30 90990.73 98504.19 117210.40 160195.30 164300.50 128520.30 134820.00 63966.26 117005.50 79241.66 103401.70 168247.20 161607.70 151159.30 109337.70 98229.45 125978.90 132785.90 152559.30 100413.20 129437.10 125148.70 84755.28 165130.10 123976.50 89458.05 76869.54 74629.56 91180.55 59723.78 115421.70 59631.96 115694.10 133100.50 116232.40 97317.34 g-Oxalo-crotonate 840684.80 631860.60 644267.60 787619.20 1044554.00 706431.20 937819.20 778780.20 732336.10 764378.80 687953.20 677257.40 629834.80 531403.20 525486.10 767351.70 671013.60 771715.80 939457.70 770761.20 1066718.00 504659.80 688797.80 687422.40 752927.80 850114.30 762071.20 866210.10 490534.30 950877.00 335635.60 699409.90 751136.10 614345.40 865467.80 950940.00 606959.90 737596.60 629277.10 882159.20 699846.80 807969.20 778896.80 980460.90 555482.10 965426.80 1141123.00 727321.20 909948.00 728442.70 845614.20 553514.40 652287.80 548369.30 545298.20 302208.20 658384.90 395969.80 521363.20 632230.30 763597.60 866702.20 466484.20 504310.20 560167.20 967037.00 578148.90 485497.30 516703.20 743420.80 590834.00 652689.30 514865.80 591241.20 542330.30 710220.60 657865.90 610659.80 646062.60 868673.60 452296.60 588385.20 472909.90 483386.90 500146.60 521636.90 420004.00 431279.90 855860.10 751324.00 440887.50 523533.20 977903.20 970061.20 597867.80 677233.20 787148.60 685589.70 478525.80 646349.00 8-Methoxykynurenate 63177.12 51466.68 36285.82 63661.86 94359.44 27287.89 41445.82 33455.11 25740.99 27036.44 39910.16 56818.18 26013.75 33279.43 23768.15 62829.62 35081.36 50396.51 72695.01 48996.75 77848.15 56085.11 46927.25 67590.77 62721.86 36324.01 48225.29 66372.08 38578.84 61938.66 52099.02 77267.34 53825.11 28784.05 59123.16 75765.35 45577.64 82202.90 42291.43 50012.44 50921.45 51337.25 94733.26 57581.47 48380.30 54185.28 58973.95 54245.99 37426.12 34190.16 51022.08 9657.70 53226.12 51299.88 48901.99 29636.02 44595.11 46812.90 30804.62 43276.71 58699.86 58536.76 37792.49 34568.74 44463.30 55888.04 19431.22 34725.84 26930.16 25043.88 51536.62 71079.15 49967.18 73736.57 34863.17 29442.77 37582.02 52974.46 54949.17 80659.15 33804.86 53704.04 34793.31 40535.32 38073.75 41106.72 42027.69 48333.11 57953.16 54537.24 33589.29 47455.32 42333.32 62945.84 28267.80 41228.73 46585.67 50963.73 42066.46 58982.20 Serotonin 10370.77 11055.55 25669.43 10722.11 6043.63 8262.81 12263.16 12413.80 16829.06 10923.72 10663.11 6314.96 7710.69 6990.57 6986.63 8003.58 13390.89 9536.87 10033.24 4944.42 7543.45 13750.01 8902.68 8813.04 8957.69 7466.01 13547.13 17436.04 10691.85 13507.79 17577.77 19853.97 5415.85 77724.79 5320.29 6926.91 19369.23 17802.42 7493.73 8886.65 16406.61 6852620.00 13261.13 18725.92 4637.04 13319.67 21727.83 15586.57 15265.70 7257.50 18338.41 18547.88 15779.55 12365.74 4941.25 9491.37 5810712.00 6765692.00 3055035.00 2707260.00 15837.74 7077760.00 10672920.00 9872.85 16872.62 10402.56 4780.81 12930.58 15196.36 11752.92 8532.36 13476.38 10650.54 8217980.00 1204477.00 16923.68 3594.92 4805.54 15670.25 12635.13 11838.74 21334.14 7361.89 14762.85 17626.58 5160252.00 8504.88 5641216.00 305746.30 10696.51 5737578.00 11479.94 10284.07 7060.58 12242.77 10305.84 12573.69 9196913.00 7622.90 4027013.00 Acetylcholine 538882.30 273607.90 317350.30 358029.40 389623.10 407729.80 296295.70 329803.00 410311.80 557651.10 453417.20 401482.80 408923.80 587111.70 432152.60 207769.10 590047.40 418896.80 363887.00 409607.80 276345.70 225691.40 420986.40 446720.90 259098.00 103395.60 374794.40 534178.00 475608.70 430658.20 270974.70 254711.50 501849.50 722324.10 352147.20 314773.60 431660.50 489581.70 522905.30 283278.60 459526.30 302789.00 379749.60 383407.30 519063.70 349477.40 365656.50 522951.90 342607.60 562209.80 302688.10 343688.80 545431.20 389648.20 644161.50 856038.80 509210.70 489587.60 571788.70 355720.40 258373.90 232125.10 372302.80 404768.20 324157.00 404212.10 261697.60 340029.30 398225.20 292932.90 103860.70 242285.30 330072.80 546687.20 259515.60 513590.40 323224.20 373534.30 445728.50 385940.20 604307.60 326643.30 550684.40 539222.10 245517.90 363315.40 310635.40 420991.10 309082.80 388279.80 325608.70 438492.70 419623.50 330652.60 362902.50 297320.90 354632.30 378179.60 562885.10 406382.00 Choline 17677650.00 17463710.00 20377710.00 23149190.00 16224750.00 15112180.00 14992680.00 20064450.00 19104880.00 20465690.00 21696390.00 22819510.00 14432970.00 14339380.00 15821360.00 22151810.00 23174130.00 17334870.00 22002950.00 19943530.00 20233190.00 17406480.00 28441890.00 26160220.00 18094890.00 20390120.00 13282290.00 22779150.00 14104010.00 19640490.00 14225650.00 19433490.00 24130680.00 16658730.00 19138700.00 18291460.00 20750380.00 18386740.00 21056780.00 18080560.00 17109550.00 16536860.00 23025970.00 14904100.00 16768430.00 20485260.00 23172360.00 19616200.00 16452960.00 16475500.00 8591307.00 11602420.00 11570270.00 13265330.00 13819360.00 16799730.00 9105237.00 11151740.00 10437880.00 17951120.00 11733200.00 15148020.00 14122550.00 11173760.00 8657149.00 14621180.00 14402340.00 17545880.00 14423930.00 12957800.00 11722600.00 12359100.00 13568770.00 14052000.00 10020940.00 11875910.00 12655200.00 12408520.00 16884200.00 12201810.00 13800360.00 13329060.00 14576590.00 13644270.00 15346480.00 14895410.00 9124615.00 9544161.00 13104170.00 13493390.00 9284224.00 12939850.00 13414010.00 12120660.00 10981870.00 10564850.00 13215670.00 14931790.00 15114710.00 14865360.00 L-Carnitine 11375830.00 7093790.00 12266380.00 7684568.00 9519595.00 14880370.00 8192746.00 8781972.00 5918358.00 10901070.00 15167770.00 13878240.00 8101874.00 11120520.00 14489160.00 11131540.00 14544390.00 11035040.00 5449070.00 9851886.00 9815855.00 4380264.00 15176570.00 11537960.00 9824945.00 8046604.00 7441130.00 17284090.00 13469540.00 15918920.00 6412266.00 8086328.00 9050729.00 18763230.00 7755704.00 10740480.00 9887458.00 8181574.00 11081020.00 7781390.00 19427920.00 13274800.00 9192499.00 7169618.00 10520560.00 13124300.00 20019030.00 15782470.00 20413850.00 14385890.00 7819120.00 16381440.00 13956520.00 10690360.00 13442710.00 17047050.00 13210550.00 15510550.00 11528280.00 11075400.00 7793616.00 4429754.00 15401960.00 9894192.00 11150200.00 12344220.00 9759140.00 9031923.00 14698080.00 9697911.00 11220760.00 6315828.00 12298210.00 9534964.00 12029550.00 11399210.00 9906655.00 9953165.00 15141430.00 3744569.00 11609120.00 13850560.00 13915820.00 10937170.00 8829908.00 10821280.00 11799990.00 9102161.00 17420990.00 15753970.00 8182144.00 8454937.00 9373093.00 9348788.00 10601880.00 10332670.00 12014100.00 14631270.00 11954720.00 13312680.00 acetyl-carnitine 10249270.00 7044256.00 12393270.00 7241134.00 6576104.00 11644110.00 7165828.00 7655430.00 6772700.00 8836525.00 18515200.00 10706250.00 6880696.00 19923750.00 10292780.00 6260608.00 20922070.00 9249112.00 5218788.00 10461210.00 7687926.00 4665198.00 19520570.00 22313130.00 8771103.00 2662466.00 7086766.00 27532980.00 10443420.00 15762850.00 8192410.00 7738488.00 11329950.00 23956870.00 8378500.00 12031360.00 10727760.00 10098300.00 9600587.00 8880365.00 15061180.00 11302810.00 8384484.00 7601852.00 13453510.00 9419344.00 15785410.00 16162620.00 18020030.00 13247840.00 3688894.00 4559707.00 14240000.00 7124652.00 11025720.00 11417420.00 15401020.00 10326140.00 13756540.00 5704638.00 5046938.00 4478808.00 15563100.00 6662938.00 8200732.00 12939060.00 10447040.00 7175168.00 8502419.00 9421387.00 2374102.00 4334116.00 8908927.00 10612960.00 10720240.00 13759180.00 6647944.00 8376002.00 12545210.00 4480964.00 9051921.00 12012160.00 14312730.00 10026890.00 6801096.00 7124626.00 9499479.00 10999490.00 11799990.00 8615692.00 7781364.00 6685500.00 7319464.00 7865694.00 8303088.00 4600226.00 12398290.00 11992080.00 10241200.00 11009840.00 propionyl-carnitine 581785.10 305032.00 723681.90 558735.10 432237.20 368141.80 400677.30 428938.00 418134.20 531184.90 889066.00 482762.80 477861.50 608049.10 694090.80 390340.80 841427.00 470508.40 302526.10 734125.30 459536.50 404771.40 939340.20 1203388.00 504519.50 180578.10 308676.80 1467626.00 630281.00 867610.80 515993.50 429213.50 613288.60 1311055.00 471460.90 804468.30 594540.40 584524.40 560390.40 463584.90 725676.80 522741.60 701792.00 503543.00 796599.80 448325.20 1170960.00 1001764.00 977855.50 740175.70 269529.10 200346.10 883274.20 354745.10 699703.20 476094.50 550399.10 610427.70 743097.70 248660.90 255057.10 323875.00 698514.60 323671.80 440673.50 534783.30 458878.90 332577.00 298596.40 592934.30 166644.20 363424.70 479714.50 525365.10 733265.80 859791.20 301320.20 343978.70 636447.20 292300.70 387443.50 609489.20 860998.10 543086.20 332645.10 347625.60 439601.90 501924.70 673645.70 457567.80 389465.70 267131.30 287702.80 386336.70 392662.50 197634.00 649596.90 575151.10 802346.70 598398.80 butanoyl-l-carnitine 308217.20 239320.50 293497.10 385717.50 514258.90 258261.00 301872.50 301898.50 327798.80 270716.80 400403.20 251115.30 544379.40 380120.10 371974.90 242693.00 376233.50 218506.90 280283.40 274734.40 340110.40 338950.20 501650.40 462665.50 366429.00 413417.20 290828.30 749592.70 310886.80 419232.80 473199.90 383567.20 272394.50 693002.90 280521.20 436571.20 443330.60 353665.40 340370.20 390101.40 641814.70 477961.40 315873.10 401881.20 602633.60 283821.90 668184.80 493191.50 547403.30 356222.10 208214.50 163522.50 322797.40 450928.50 312401.20 284942.40 249944.70 318287.80 372680.50 194292.60 227160.90 165593.90 412422.80 198981.10 276721.70 465733.10 212442.50 259910.20 169675.70 213029.60 183954.70 182929.20 399802.40 280423.50 343756.00 258288.10 296206.10 190498.30 280240.90 189840.60 338802.70 335951.80 442462.20 311163.80 362981.10 206753.40 240015.70 327998.20 215033.30 211894.10 280192.90 305145.50 204314.00 225603.10 194302.60 134693.80 285464.80 240753.90 278184.80 303059.80 Hydroxybutyrylcarnitine 196165.10 233259.70 152701.90 181529.60 428409.10 899371.00 153611.30 239955.10 384122.40 1021925.00 245846.10 327641.90 253837.10 26784.01 423787.90 403551.00 337478.30 267321.30 414403.90 303824.00 363975.90 97905.48 185051.60 287663.40 48017.10 522670.20 547552.40 1170279.00 122017.00 110486.50 184507.60 323177.10 467047.70 176203.40 40385.74 923158.80 153236.00 428291.30 323489.00 515594.60 232681.90 334113.40 263092.30 450970.10 330380.80 1071604.00 538794.80 238024.50 1408968.00 2039952.00 313109.40 152713.60 82238.91 172022.20 52916.97 613850.20 411960.20 77577.88 183921.20 109582.90 214690.30 195710.30 224012.90 409031.10 124149.30 147390.50 256404.30 104378.60 159658.30 175572.00 264079.90 59874.11 159408.70 290071.80 70025.40 111155.30 458386.90 69555.52 426210.70 150117.40 73590.31 160233.30 463925.50 52302.28 683160.50 166440.90 86356.38 661873.40 281908.10 220476.10 176501.30 171232.00 115395.10 89913.51 208697.60 597767.40 154755.40 43484.34 270317.40 677864.60 hexanoyl-L-carnitine 74891.70 98317.66 127963.00 106733.40 149287.10 150644.80 92371.29 74274.03 75066.66 132664.50 126161.80 97260.60 95768.77 117397.90 148265.70 76203.82 135347.20 83497.02 120009.00 115680.70 136007.70 60999.66 270068.10 218424.20 159586.40 158594.10 129398.90 318158.60 163160.80 163746.20 88726.65 232541.00 182008.70 165821.30 58628.32 172339.70 174848.90 140012.50 142507.70 139116.40 200435.20 157031.40 87461.90 120345.40 164357.20 205283.60 270592.50 110680.30 120499.00 136239.40 78338.51 19193.44 105396.10 90415.60 125163.00 136959.80 67371.74 66556.02 167407.70 86413.19 82402.98 78154.88 145262.60 95194.59 128471.60 137029.40 91961.62 123877.90 84450.62 83619.61 110762.50 103796.40 129480.70 131761.80 126891.80 92367.66 56793.04 100428.90 109544.60 99622.38 132162.50 84762.07 129440.50 97383.48 117599.10 86743.77 88745.79 211024.50 63665.49 96406.01 118517.40 94429.81 94372.48 106156.10 91836.31 79568.85 79440.69 94028.78 30575.24 153319.50 6-Pyruvoyltetrahydropterin 89919.65 72187.40 112034.30 73090.66 95060.35 150371.90 83990.16 44528.72 72382.84 114107.70 115778.20 127848.60 72200.23 145658.20 71965.84 105658.80 131087.70 82600.12 41401.62 74630.94 67824.80 66446.16 218272.90 216273.20 65479.76 115464.50 64116.19 190959.10 60627.66 76821.88 113635.30 88894.57 205435.60 184001.00 109468.00 110197.30 112410.80 125251.80 100526.40 134280.80 178977.90 152691.20 89756.91 92982.29 135167.40 62117.66 102293.10 98860.66 114593.10 105398.80 71447.45 41139.67 105366.90 164561.30 138188.90 190874.30 172840.00 89148.91 140765.10 98618.54 70868.91 99230.02 128820.60 70813.00 63252.64 75067.70 149010.20 118608.30 89476.27 78350.77 79590.69 109727.50 118843.20 90088.99 108742.00 135774.80 36766.86 80132.90 101158.10 69393.53 174188.20 162962.00 129772.70 172793.20 139971.80 149427.20 113042.10 115075.00 77906.28 74378.45 76597.09 115873.40 149674.10 103895.00 131388.60 84780.56 62517.04 114945.10 71628.59 103358.30 2-Deoxy-alpha-D-glucoside 5459291.00 9531371.00 5621436.00 7397738.00 9085373.00 5909450.00 7652420.00 5415306.00 5559558.00 6079288.00 5429482.00 5514630.00 8034182.00 6389072.00 7275938.00 7060214.00 7191876.00 6326272.00 7218248.00 5266716.00 8203310.00 7665202.00 10719610.00 8862659.00 7757092.00 7115044.00 8440067.00 7594896.00 5921078.00 8593905.00 9065360.00 9088032.00 10556470.00 6197578.00 4540395.00 9006772.00 8563449.00 12243670.00 10894440.00 9496467.00 9190695.00 9756361.00 9196663.00 8192030.00 9006976.00 5726110.00 10882270.00 7198474.00 6106968.00 8421975.00 7534120.00 5426052.00 7876822.00 9169241.00 9819757.00 9587672.00 7427272.00 4688896.00 8559209.00 7148102.00 8098128.00 7025264.00 8059662.00 7504212.00 8705385.00 10064890.00 6513384.00 9878968.00 5134862.00 6042350.00 6800122.00 11592500.00 8803201.00 9554655.00 6485174.00 5652676.00 6090854.00 10635380.00 8632612.00 5486826.00 5454602.00 6351932.00 6855198.00 9532448.00 8362694.00 7589060.00 8830086.00 9658307.00 4261100.00 10043960.00 8229766.00 8894195.00 6909762.00 9525775.00 8589130.00 8194026.00 6947630.00 5697908.00 6405630.00 10084590.00 N-Acyl-D-mannosaminolactone 619456.00 438757.40 838629.20 448265.80 551361.80 697458.40 506872.20 536715.10 661442.00 643310.30 625412.30 765375.50 525874.40 368332.40 544786.20 645744.20 703788.70 579948.40 529371.10 597967.40 664707.80 493350.80 723678.20 688726.40 663618.50 627430.40 629491.90 599647.70 584597.10 633271.30 485586.70 559069.10 675142.20 652514.20 817843.30 542408.80 491543.70 399149.10 807611.20 737274.30 815444.30 568923.20 601143.50 921508.80 753671.80 590990.20 952776.20 519472.70 520537.00 491301.50 422941.20 702777.10 773707.30 547522.60 604523.30 737279.80 522783.80 531215.10 586338.80 600615.10 563049.10 604055.60 637209.10 527922.70 611899.80 511010.80 456043.80 617002.90 692109.40 538730.20 607094.50 515734.20 713846.80 470112.20 758417.80 532660.50 426177.50 531112.10 670008.20 474434.80 638712.50 778603.70 543263.80 546259.10 619802.60 602936.80 468638.50 487434.90 638695.70 610925.40 499527.90 524121.80 630254.90 575088.20 622886.40 687454.90 488753.20 807513.90 611461.40 487645.50 N6-Methyl-L-lysine 382962.50 69378.63 113880.30 84943.62 614734.10 142709.90 430235.30 118326.60 76083.45 754087.30 630428.80 454526.60 67576.09 111690.30 59031.47 90568.66 138252.20 481135.30 107744.50 78936.32 123775.60 66600.63 630069.80 687647.70 514467.90 102467.10 99547.35 93713.77 98046.25 50869.68 661009.90 122733.60 376684.90 580833.50 82072.34 369089.30 498736.80 105108.20 728414.70 294102.70 797042.80 104681.40 332415.30 121170.70 97067.40 68574.27 355951.00 87418.69 551492.10 81381.61 607498.70 80822.55 360507.80 464941.50 106693.90 724739.90 141449.10 156961.80 120414.90 536529.10 309209.80 490640.90 414142.00 320311.80 114943.80 263173.70 253393.80 479972.30 138337.70 112146.40 85945.46 112353.50 436462.50 117666.20 256299.30 74964.23 116025.40 412917.20 106795.10 109615.10 152549.60 110390.70 371761.40 227706.90 104704.00 108084.30 130769.10 80357.58 310636.20 119710.30 396483.00 101943.70 149128.50 70915.51 283510.80 134579.40 72870.32 125007.50 153492.40 102780.70 10-Hydroxydecanoic acid 146329.60 46274.01 122791.90 87112.68 31258.38 107487.00 147665.70 31900.10 14009.79 10898.89 63472.59 82887.94 50363.01 73687.20 164547.00 117556.10 103264.80 54255.28 82558.50 48076.64 38322.56 239776.60 38798.80 268202.70 75717.73 30476.53 64415.82 108249.80 181837.60 169370.00 157489.60 176003.60 280743.70 71781.65 353320.10 150623.60 37444.52 59852.62 84545.84 225917.60 109638.20 160365.20 137124.40 15503.81 86476.55 7723.55 55227.29 40099.52 40321.79 35504.21 69755.67 50547.29 20411.13 94809.26 61034.98 26942.54 8665.10 80292.96 52604.64 49729.22 36115.22 66112.19 12386.58 42815.61 25097.51 423856.80 9716.91 25969.97 38221.14 46106.83 106275.80 61812.86 35833.04 25613.31 130359.20 71180.55 8632.33 112832.80 38091.62 193381.80 0.00 167159.80 42252.56 61111.76 60497.44 101120.10 26499.85 30394.95 92873.76 221044.20 21953.42 8668.97 145904.50 0.00 60257.58 63904.86 10071.29 47077.50 49294.50 29177.92 2-Oxo-7-methylthioheptanoic acid 347708.60 121939.50 435060.40 286896.60 332694.80 197779.20 233777.80 281105.30 430171.50 356312.70 437459.80 394544.20 198814.10 310794.70 257783.10 302554.20 497956.30 305403.60 291267.20 313279.00 416926.20 338474.30 467505.20 568034.60 371530.90 493159.00 359140.60 354710.30 449400.80 208457.60 222120.20 459100.30 107756.40 356984.80 417688.00 548820.90 425942.50 364332.40 446920.70 216964.20 616661.90 368436.40 243724.40 455537.00 382269.40 346861.10 253333.50 406341.20 379762.70 397801.40 254560.60 280048.70 190122.00 180673.00 485336.00 295565.00 255305.60 355429.90 289930.20 292978.80 288083.30 230436.60 444975.70 255753.80 351166.70 337988.60 276838.00 410750.30 329912.20 378781.70 283676.30 120928.20 382846.90 237997.20 371894.70 318299.20 337245.10 227856.30 255220.60 341122.70 453226.40 330926.60 538678.90 343109.50 412024.20 383954.40 298202.10 216506.50 350102.10 139138.20 301509.90 273589.50 225306.30 304817.40 329904.80 321260.40 391031.80 302289.40 405445.00 313474.70 L-Kynurenine 161011.40 133605.20 178765.40 158994.30 113694.90 143782.70 123031.30 188555.60 145805.60 190032.40 191993.60 159321.80 106633.80 196231.10 161317.70 177684.40 331941.80 173517.10 184646.50 173916.40 192276.00 177089.50 203392.30 358445.50 227900.90 275671.30 178398.80 389272.80 118353.00 163674.90 152527.10 270461.40 225485.70 402567.30 160711.30 179981.10 125022.30 183565.90 159962.80 90875.10 404136.40 180843.40 216582.30 235183.10 210965.40 153558.70 177985.60 136470.70 163546.10 237278.90 62901.67 130337.00 146166.90 85951.29 170545.40 134716.70 87193.51 72076.66 218198.20 119053.00 94289.29 74514.80 129240.10 121114.20 189553.80 133690.80 164218.70 291892.20 279201.30 149594.70 165542.10 156753.10 194340.50 198298.90 178427.10 219123.60 176926.90 184738.80 307120.50 229379.60 194386.80 152729.30 235499.30 178724.00 170176.70 232217.30 198804.70 262795.20 189046.90 214858.70 100844.90 175987.10 161232.00 137200.50 192662.90 119821.90 159287.00 188525.30 165283.00 162108.00 L-Formylkynurenine 118974.30 126455.20 132801.90 95561.06 61680.02 85797.66 120139.10 134568.50 133552.80 224684.00 69843.07 104480.40 126280.90 127236.10 168947.60 70270.34 151422.20 77178.44 71116.52 120348.90 90414.32 109627.00 90463.24 129887.30 162034.40 165200.90 103634.50 122358.70 63099.96 78726.96 100701.30 53498.24 97162.20 148088.00 124481.80 154808.60 98892.21 50853.43 62902.19 85853.45 107636.70 129499.40 88037.21 134178.50 125920.90 108914.10 76665.04 91989.44 107819.90 155141.00 112128.20 228347.50 143443.40 95549.09 155593.70 152544.40 93855.34 72219.29 78055.55 90895.81 192579.40 134163.40 171827.90 38275.44 44531.52 30203.79 36672.35 114063.70 35359.71 31326.33 33763.97 27888.25 19026.32 36833.92 40622.43 56043.84 52890.26 33170.48 43723.27 25513.83 49831.23 22752.97 38606.30 59918.11 45430.70 52485.36 39896.20 46178.23 31722.90 26939.23 19244.85 35979.80 39916.53 36137.19 50920.93 39658.89 19743.46 45262.57 36168.38 24215.12 Anthranilate 385569.70 62573.12 95676.25 518633.40 2756200.00 139372.70 1028179.00 69594.12 186784.20 145899.80 410947.90 140860.50 600102.50 1974981.00 88573.49 57169.56 146847.60 183377.10 7202058.00 148374.60 3149962.00 88822.84 180064.60 123747.90 2196423.00 149629.50 543612.20 999525.80 1618997.00 82296.68 443916.40 281354.00 294709.60 1761237.00 61447.29 72242.30 110529.80 2739973.00 965767.70 61666.64 83329.85 237651.20 153961.80 2501429.00 202476.80 127232.20 143256.60 299728.30 514550.10 174960.80 62404.04 90932.46 119189.70 531937.60 253604.20 610323.60 330519.10 507605.90 1230295.00 240787.80 915188.80 122303.90 225261.30 272626.40 197151.50 272014.70 60284.64 285849.70 49346.66 234093.30 109456.90 70199.83 663759.10 1463537.00 144682.60 184791.50 102226.30 251212.20 1095508.00 1144280.00 173325.90 1686611.00 477427.40 78198.31 133064.90 1777185.00 137631.10 167773.30 123009.00 55586.57 214482.60 241275.90 117403.10 111633.70 87168.12 49866.29 46742.62 224604.20 3712261.00 326778.30 Picolinic acid 781535.30 619643.30 643056.70 5048362.00 699728.80 3500589.00 620134.80 572973.10 568705.00 553362.30 3577942.00 11364140.00 3210393.00 402787.20 4130810.00 907805.60 4021863.00 3058802.00 10494360.00 4458890.00 7097732.00 3609604.00 2412353.00 430608.20 3711672.00 873330.80 637076.70 7344074.00 4671545.00 3388996.00 676090.40 9481749.00 3516365.00 724321.30 605263.60 11648680.00 4763220.00 1454937.00 731512.20 821612.80 2008414.00 1280483.00 4530240.00 600361.40 622390.60 2054012.00 921034.20 576892.10 583799.10 725197.10 773613.00 522628.60 578813.50 772857.80 10014250.00 672561.20 4031290.00 592649.30 11515700.00 766148.50 673197.30 9998608.00 561865.10 349240.00 621049.70 601381.00 1487658.00 523201.60 586442.50 709871.30 2796470.00 779138.20 762877.50 4348644.00 568568.70 651984.60 675167.40 708583.30 529091.10 826540.90 233823.50 10384630.00 691248.40 3640586.00 592317.20 647191.30 10113810.00 3439391.00 3927837.00 544676.10 558696.50 8056700.00 1877415.00 678917.80 583880.70 7420346.00 6746906.00 756988.90 712289.90 649128.70 Quinolinic acid 2805.19 0.00 4888.42 3225.53 0.00 0.00 0.00 6302.51 0.00 0.00 0.00 2361.88 0.00 6599.29 0.00 0.00 5813.25 2075.44 7978.51 1644.91 0.00 2834.59 4133.90 20733.19 12071.93 4570.95 0.00 14738.22 0.00 1578.93 2448.14 8162.17 13588.91 20425.71 0.00 2274.40 0.00 0.00 0.00 0.00 10766.56 5852.69 0.00 0.00 2711.10 1988.11 0.00 1522.59 0.00 0.00 0.00 3418.28 4126.89 2260.40 0.00 3009.58 0.00 2071.58 0.00 0.00 0.00 0.00 15722.18 0.00 0.00 0.00 0.00 5844.65 0.00 0.00 0.00 0.00 0.00 6048.77 3682.47 0.00 0.00 7536.60 0.00 0.00 3338.17 0.00 0.00 0.00 0.00 0.00 2348.80 5628.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1466.40 0.00 0.00 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name KEGG ID HMDB ID quantitated m/z medRt L-alanine C00041 90.05559 0.6636432 L-arginine C00062 175.1189 0.639622 L-asparagine C00152 133.0605 0.676321 L-glutamate C00025 148.0603 0.6849335 L-glutamine C00064 147.0761 0.6640787 L-histidine C00135 156.0766 0.6289637 L-leucine C00123 132.1017 0.6852111 L-lysine C00047 147.1124 0.6109412 L-methionine C00073 150.0583 0.6797432 L-phenylalanine C00079 166.086 0.6892406 L-proline C00148 116.0709 0.6809056 L-serine C00065 106.0501 0.6711783 L-threonine C00188 120.0656 0.6637021 L-tryptophan C00078 205.0969 1.72499 L-tyrosine C00082 182.0809 0.6820982 L-valine C00183 118.0865 0.6822338 L-cystine C00491 241.0291 0.6710554 Hypoxanthine C00262 137.0456 0.6828224 Xanthine C00385 153.0406 0.855554 2',3'-Cyclic CMP C02354 306.0502 1.686512 5-6-Dihydrothymine C00906 129.0658 0.6690186 Pyridoxamine 5'-phosphate C00647 249.0605 1.725679 5-Oxoproline C01879 130.0498 0.664988 Ascorbate C00072 177.039 0.6799067 gamma-Glutamyl-Se-methylselenocysteine C05695 313.0334 0.8509924 gamma-L-Glutamyl-D-alanine C03738 219.0974 0.8446888 (5-L-Glutamyl)-L-glutamine C05283 276.1187 0.6639972 L-Homocysteine C00155 136.0427 0.6818507 Dimethylglycine C01026 104.071 0.6873635 Ornithine C01602 133.0972 0.6067423 L-Citrulline C00327 176.1027 0.6639223 Spermidine C00315 146.165 0.6136907 5-Guanidino-2-oxopentanoate C03771 174.087 0.6823248 Creatine C00300 132.0768 0.6701563 Creatinine C00791 114.0664 0.6773025 4-Acetamidobutanoate C02946 146.081 0.6867251 N-Acetylornithine C00437 175.1074 0.680355 trans-4-Hydroxy-L-proline C01157 132.0654 0.6863788 Taurine C00245 126.0221 0.6880642 L-Methionine S-oxide C02989 166.0529 0.7417701 g-Oxalo-crotonate C03453 159.0274 0.6794577 8-Methoxykynurenate C05830 220.0577 1.747081 Serotonin C00780 177.1019 0.9529802 Acetylcholine C01996 146.1172 0.6791855 Choline C00114 104.1074 0.6653034 L-Carnitine C00318 162.1122 0.6673449 acetyl-carnitine C02571 204.1229 0.6827476 propionyl-carnitine C03017 218.1385 0.6838768 butanoyl-l-carnitine C02862 232.1541 1.694243 Hydroxybutyrylcarnitine HMDB13127 248.1483 1.750922 hexanoyl-L-carnitine HMDB00756 260.1852 1.800997 6-Pyruvoyltetrahydropterin C03684 238.0917 0.8494978 2-Deoxy-alpha-D-glucoside C03573 164.0665 0.6002908 N-Acyl-D-mannosaminolactone C03792 205.0574 0.6603554 N6-Methyl-L-lysine C02728 161.1281 0.627809 10-Hydroxydecanoic acid C02774 189.1483 1.857465 2-Oxo-7-methylthioheptanoic acid C17220 191.0762 0.632349 L-Kynurenine C00328 209.0918 1.417013 L-Formylkynurenine C02700 237.0867 1.468425 Anthranilate C00108 138.0548 0.7229602 Picolinic acid C10164 124.0388 0.5965942 Quinolinic acid C03722 168.0296 0.9021818 METABOLITES_END #END