#METABOLOMICS WORKBENCH boryana_ptrva_20210915_064127_mwtab.txt DATATRACK_ID:2840 STUDY_ID:ST001978 ANALYSIS_ID:AN003226 PROJECT_ID:000000 VERSION 1 CREATED_ON October 5, 2021, 2:11 pm #PROJECT PR:PROJECT_TITLE Gene-therapy enhances CSF’s anti-oxidative activity to mitigate chemotherapy PR:PROJECT_TITLE side effects PR:PROJECT_TYPE Anti-oxidative Metabolism Measurement in CSF of MTX-treated mice under gene PR:PROJECT_TYPE therapy by quantitative LC/MS method (part V) PR:PROJECT_SUMMARY In order to test the protective activity of SOD3 levels on the redox state of PR:PROJECT_SUMMARY the CSF of MTX-treated mice, targeted metabolomics on CSF was employed at PR:PROJECT_SUMMARY different timepoints after treatment, on mice of both sexes, at various levels PR:PROJECT_SUMMARY of impacted hSOD3 expression. PR:INSTITUTE Boston Childrens Hospital PR:DEPARTMENT Pathology PR:LABORATORY Naama Kanarek PR:LAST_NAME Petrova PR:FIRST_NAME Boryana PR:ADDRESS 300 Longwood Av, Boston, MA, 2115, USA PR:EMAIL boryana.petrova@childrens.harvard.edu PR:PHONE 6173557433 #STUDY ST:STUDY_TITLE Anti-oxidation metabolism measurement in mammalian cells and tissues by ST:STUDY_TITLE quantitative LC/MS method (V) ST:STUDY_SUMMARY Anti-oxidation metabolism measurement in human patient CSF by quantitative LC/MS ST:STUDY_SUMMARY method. ST:INSTITUTE Boston Children's Hospital, Harvard Medical School ST:LAST_NAME Petrova ST:FIRST_NAME Boryana ST:ADDRESS 300 Longwood Ave ST:EMAIL boryana.petrova@childrens.harvard.edu ST:PHONE 6173557433 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Male and female #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - human CSF 1 Factor:N9 RAW_FILE_NAME=20210109_QEF1_HILIC_AJ_CSFpatients20_AJ381; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 2 Factor:NJ3 RAW_FILE_NAME=20210109_QEF1_HILIC_AJ_CSFpatients20_AJ382; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 3 Factor:patient2_1 6/10/07 RAW_FILE_NAME=20210109_QEF1_HILIC_AJ_CSFpatients20_AJ383; other=10ul +10ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 4 Factor:patient2_2 6/11/07 RAW_FILE_NAME=20210109_QEF1_HILIC_AJ_CSFpatients20_AJ384; other=10ul +10ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 5 Factor:patient2_3 4/22/08 RAW_FILE_NAME=20210109_QEF1_HILIC_AJ_CSFpatients20_AJ385; other=10ul +10ul CSF; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 6 Factor:patient4_1 8/31/10 RAW_FILE_NAME=20210109_QEF1_HILIC_AJ_CSFpatients20_AJ386; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 7 Factor:patient4_2 6/11/11 RAW_FILE_NAME=20210109_QEF1_HILIC_AJ_CSFpatients20_AJ387; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 8 Factor:patient4_3 7/9/11 RAW_FILE_NAME=20210109_QEF1_HILIC_AJ_CSFpatients20_AJ388; other=20ul CSFin 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 9 Factor:patient12_1 12/5/02 RAW_FILE_NAME=20210109_QEF1_HILIC_AJ_CSFpatients20_AJ389; other=10ul +10ul in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 10 Factor:patient12_2 1/16/03 RAW_FILE_NAME=20210109_QEF1_HILIC_AJ_CSFpatients20_AJ390; other=10ul +10ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 11 Factor:patient12_3 5/23/03 RAW_FILE_NAME=20210109_QEF1_HILIC_AJ_CSFpatients20_AJ391; other=10ul +10ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 12 Factor:patient13_1 12/29/11 RAW_FILE_NAME=20210109_QEF1_HILIC_AJ_CSFpatients20_AJ392; other=10ul +10ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 13 Factor:patient13_2 4/28/14 RAW_FILE_NAME=20210109_QEF1_HILIC_AJ_CSFpatients20_AJ393; other=10ul +10ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 14 Factor:patient13_3 7/16/14 RAW_FILE_NAME=20210109_QEF1_HILIC_AJ_CSFpatients20_AJ394; other=10ul +10ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 15 Factor:N25 RAW_FILE_NAME=20210109_QEF1_HILIC_AJ_CSFpatients20_AJ395; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 16 Factor:N55 RAW_FILE_NAME=20210109_QEF1_HILIC_AJ_CSFpatients20_AJ396; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 17 Factor:N58 RAW_FILE_NAME=20210109_QEF1_HILIC_AJ_CSFpatients20_AJ397; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 18 Factor:N61 RAW_FILE_NAME=20210109_QEF1_HILIC_AJ_CSFpatients20_AJ398; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 19 Factor:N66 RAW_FILE_NAME=20210109_QEF1_HILIC_AJ_CSFpatients20_AJ399; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 20 Factor:N75 RAW_FILE_NAME=20210109_QEF1_HILIC_AJ_CSFpatients20_AJ400; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 21 Factor:N88 RAW_FILE_NAME=20210109_QEF1_HILIC_AJ_CSFpatients20_AJ402; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 22 Factor:N91 RAW_FILE_NAME=20210109_QEF1_HILIC_AJ_CSFpatients20_AJ403; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 23 Factor:N93 RAW_FILE_NAME=20210109_QEF1_HILIC_AJ_CSFpatients20_AJ434; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - pooled sample QCa Factor:- RAW_FILE_NAME=20210109_QEF1_HILIC_AJ_CSFpatients20_AJ434_pool1x_a; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - pooled sample QCb Factor:- RAW_FILE_NAME=20210109_QEF1_HILIC_AJ_CSFpatients20_AJ434_pool1x_b; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - pooled sample QCc Factor:- RAW_FILE_NAME=20210109_QEF1_HILIC_AJ_CSFpatients20_AJ434_pool1x_c; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - pooled sample QCd Factor:- RAW_FILE_NAME=20210109_QEF1_HILIC_AJ_CSFpatients20_AJ434_pool1x_d; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - pooled sample QC 1/3 dilution Factor:- RAW_FILE_NAME=20210109_QEF1_HILIC_AJ_CSFpatients20_AJ435_pool03x; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - pooled sample QC 1/10 dilution a Factor:- RAW_FILE_NAME=20210109_QEF1_HILIC_AJ_CSFpatients20_AJ436_pool01x_a; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - pooled sample QC 1/10 dilution b Factor:- RAW_FILE_NAME=20210109_QEF1_HILIC_AJ_CSFpatients20_AJ436_pool01x_b; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - blank 1 Factor:- RAW_FILE_NAME=20210109_QEF1_HILIC_AJ_CSFpatients20_blank1; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - blank 2 Factor:- RAW_FILE_NAME=20210109_QEF1_HILIC_AJ_CSFpatients20_blank2; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - blank 3 Factor:- RAW_FILE_NAME=20210109_QEF1_HILIC_AJ_CSFpatients20_blank3; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - blank 4 Factor:- RAW_FILE_NAME=20210109_QEF1_HILIC_AJ_CSFpatients20_blank4; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 24 Factor:N95 RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_AJ405; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 25 Factor:L1-1 RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_AJ406; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 26 Factor:L1-2 RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_AJ407; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 27 Factor:L1-3 RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_AJ408; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 28 Factor:L1-4 RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_AJ409; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 29 Factor:L1-5 RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_AJ410; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 30 Factor:L2-1 RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_AJ411; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 31 Factor:L2-2 RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_AJ412; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 32 Factor:L3-1 RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_AJ413; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 33 Factor:L3-2 RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_AJ414; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 34 Factor:L3-3 RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_AJ415; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 35 Factor:L3-4 RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_AJ416; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 36 Factor:L3-5 RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_AJ417; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 37 Factor:L4-1 RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_AJ418; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 38 Factor:L4-2 RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_AJ419; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 39 Factor:L5-1 RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_AJ420; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 40 Factor:L5-2 RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_AJ421; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 41 Factor:L6-1 RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_AJ422; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 42 Factor:L6-2 RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_AJ423; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 43 Factor:L6-3 RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_AJ424; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 44 Factor:L7-1 RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_AJ425; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 45 Factor:L7-2 RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_AJ426; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 46 Factor:L8-1 RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_AJ427; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 47 Factor:L8-2 RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_AJ428; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 48 Factor:L9-1 RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_AJ429; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 49 Factor:L9-2 RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_AJ430; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 50 Factor:L9-3 RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_AJ431; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 51 Factor:L10-1 RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_AJ432; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - human CSF 52 Factor:L10-2 RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_AJ433; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - mouse CSF 1 Factor:mouse control RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_AJ437; other=20ul CSF in 160A+40B+Ellmans FB resup in H20; other=New Ascorbate AB extraction buffer isoAAs GSH aminopterin QReSS; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - pooled sample QC 1a Factor:- RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_AJ438_pool1x_a; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - pooled sample QC 1b Factor:- RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_AJ438_pool1x_b; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - pooled sample QC 1c Factor:- RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_AJ438_pool1x_c; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - pooled sample QC 1d Factor:- RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_AJ438_pool1x_d; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - pooled sample QC 1e Factor:- RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_AJ438_pool1x_e; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - pooled sample QC 1e-1 Factor:- RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_AJ438_pool1x_e_20210112160513; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - pooled sample QC 1/3 dilution 1a Factor:- RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_AJ439_pool03x; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - pooled sample QC 1/10 dilution 1a Factor:- RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_AJ440_pool01x_a; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - pooled sample QC 1/10 dilution 1b Factor:- RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_AJ440_pool01x_b; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - blank 1-1 Factor:- RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_blank1; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - blank 1-2 Factor:- RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_blank2; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - blank 1-3 Factor:- RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_blank3; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - blank 1-4 Factor:- RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_blank4; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - blank 1-5 Factor:- RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_blank5; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - blank 1-6 Factor:- RAW_FILE_NAME=20210110_QEF1_HILIC_CSFPatients_20_part2_blank6; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - blank 5 Factor:- RAW_FILE_NAME=20210109_QEF1_HILIC_AJ_CSFpatients20_blank5; other=-; other=-; chromatography=HILIC #COLLECTION CO:COLLECTION_SUMMARY De-identified CSF samples from both central nervous system (CNS) lymphoma CO:COLLECTION_SUMMARY patients and non-chemotherapy exposed controls were obtained by Dr. Eric Wong CO:COLLECTION_SUMMARY (BIDMC) under BIDMC Institutional Review Board (IRB)-approved protocols and CO:COLLECTION_SUMMARY analyzed under BCH IRB-approved protocols. Samples were aliquoted and stored at CO:COLLECTION_SUMMARY −80°C until use. CO:SAMPLE_TYPE CSF #TREATMENT TR:TREATMENT_SUMMARY No treatment + buffers from study design, patient IDs match protocol TR:TREATMENT_SUMMARY description. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY CSF injected into a ZIC-pHILIC 150 × 2.1 mm (5 µm particle size) SP:SAMPLEPREP_SUMMARY column (EMD Millipore) operated on a Dionex UltiMate 3000 UPLC system (Thermo SP:SAMPLEPREP_SUMMARY Fisher Scientific). Chromatographic separation was achieved using the following SP:SAMPLEPREP_SUMMARY conditions: buffer A was acetonitrile; buffer B was 20 mM ammonium carbonate, SP:SAMPLEPREP_SUMMARY 0.1% ammonium hydroxide. Gradient conditions were: linear gradient from 20% to SP:SAMPLEPREP_SUMMARY 80% B; 20–20.5 min: from 80% to 20% B; 20.5–28 min: hold at 20% B. The SP:SAMPLEPREP_SUMMARY column oven and autosampler tray were held at 25 °C and 4 °C, SP:SAMPLEPREP_SUMMARY respectively. The MS data acquisition was on a QExactive benchtop orbitrap mass SP:SAMPLEPREP_SUMMARY spectrometer equipped with an Ion Max source and a HESI II probe and was SP:SAMPLEPREP_SUMMARY performed in a range of m/z= 70–1000, with the resolution set at 70,000, the SP:SAMPLEPREP_SUMMARY AGC target at 1x106, and the maximum injection time (Max IT) at 20 msec. For SP:SAMPLEPREP_SUMMARY tSIM scans, the resolution was set at 70,000, the AGC target was 1x105, and the SP:SAMPLEPREP_SUMMARY max IT was 100 msec. Relative quantitation of polar metabolites was performed SP:SAMPLEPREP_SUMMARY with TraceFinder 4.1 (Thermo Fisher Scientific) using a 5 ppm mass tolerance and SP:SAMPLEPREP_SUMMARY referencing an in-house library of chemical standards. Pooled samples and SP:SAMPLEPREP_SUMMARY fractional dilutions were prepared as quality controls and only those SP:SAMPLEPREP_SUMMARY metabolites were taken for further analysis, for which the correlation between SP:SAMPLEPREP_SUMMARY the dilution factor and the peak area was >0.95 (high confidence metabolites). SP:SAMPLEPREP_SUMMARY Normalization for biological material amounts was based on the total integrated SP:SAMPLEPREP_SUMMARY peak area values of high-confidence metabolites within an experimental batch SP:SAMPLEPREP_SUMMARY after normalizing to the averaged factor from all mean-centered chromatographic SP:SAMPLEPREP_SUMMARY peak areas of isotopically labeled amino acids internal standards (Cambridge SP:SAMPLEPREP_SUMMARY Isotope Laboratories). The data were Log transformed and Pareto scaled for SP:SAMPLEPREP_SUMMARY MetaboAnalyst-based statistical or pathway analysis (41). We profiled 200 SP:SAMPLEPREP_SUMMARY metabolites, 85 of which were detected in CSF and passed our quality control SP:SAMPLEPREP_SUMMARY protocol. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Q Exactive Orbitrap CH:COLUMN_NAME EMD Millipore ZIC-HILIC (100 x 2.1 mm, 3.5 um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Exactive Plus Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS Xcalibur + Tracefinder #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS ppm MS_METABOLITE_DATA_START Samples human CSF 1 human CSF 2 human CSF 3 human CSF 4 human CSF 5 human CSF 6 human CSF 7 human CSF 8 human CSF 9 human CSF 10 human CSF 11 human CSF 12 human CSF 13 human CSF 14 human CSF 15 human CSF 16 human CSF 17 human CSF 18 human CSF 19 human CSF 20 human CSF 21 human CSF 22 human CSF 23 pooled sample QCa pooled sample QCb pooled sample QCc pooled sample QCd pooled sample QC 1/3 dilution pooled sample QC 1/10 dilution a pooled sample QC 1/10 dilution b blank 1 blank 2 blank 3 blank 4 human CSF 24 human CSF 25 human CSF 26 human CSF 27 human CSF 28 human CSF 29 human CSF 30 human CSF 31 human CSF 32 human CSF 33 human CSF 34 human CSF 35 human CSF 36 human CSF 37 human CSF 38 human CSF 39 human CSF 40 human CSF 41 human CSF 42 human CSF 43 human CSF 44 human CSF 45 human CSF 46 human CSF 47 human CSF 48 human CSF 49 human CSF 50 human CSF 51 human CSF 52 mouse CSF 1 pooled sample QC 1a pooled sample QC 1b pooled sample QC 1c pooled sample QC 1d pooled sample QC 1e pooled sample QC 1e-1 pooled sample QC 1/3 dilution 1a pooled sample QC 1/10 dilution 1a pooled sample QC 1/10 dilution 1b blank 1-1 blank 1-2 blank 1-3 blank 1-4 blank 1-5 blank 1-6 blank 5 Factors Factor:N9 Factor:NJ3 Factor:patient2_1 6/10/07 Factor:patient2_2 6/11/07 Factor:patient2_3 4/22/08 Factor:patient4_1 8/31/10 Factor:patient4_2 6/11/11 Factor:patient4_3 7/9/11 Factor:patient12_1 12/5/02 Factor:patient12_2 1/16/03 Factor:patient12_3 5/23/03 Factor:patient13_1 12/29/11 Factor:patient13_2 4/28/14 Factor:patient13_3 7/16/14 Factor:N25 Factor:N55 Factor:N58 Factor:N61 Factor:N66 Factor:N75 Factor:N88 Factor:N91 Factor:N93 Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:N95 Factor:L1-1 Factor:L1-2 Factor:L1-3 Factor:L1-4 Factor:L1-5 Factor:L2-1 Factor:L2-2 Factor:L3-1 Factor:L3-2 Factor:L3-3 Factor:L3-4 Factor:L3-5 Factor:L4-1 Factor:L4-2 Factor:L5-1 Factor:L5-2 Factor:L6-1 Factor:L6-2 Factor:L6-3 Factor:L7-1 Factor:L7-2 Factor:L8-1 Factor:L8-2 Factor:L9-1 Factor:L9-2 Factor:L9-3 Factor:L10-1 Factor:L10-2 Factor:mouse control Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- 1-methylnicotinamide N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F "2,3-BPG_unc" N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 2-aminobutyric_acid 29862259 40869761 59316915 50715033 9393046 59334864 65797300 62142591 41462202 80914358 50126077 62567424 29037308 45592687 15158315 28355636 34436515 26998149 40775360 52815378 21894727 50487970 38301376 31065451 23389645 23707210 33277638 36353258 9036617 16879570 N/F N/F N/F N/F N/F N/F N/F 53746144 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 88388802 32274013 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 2-hydroxybutyric_acid 73601795 116833403 193826080 170204840 N/F 134376380 188420156 164895612 41677171 91376532 43608760 81279242 31076002 38518507 N/F 57978679 61895402 29075142 70488480 135610097 31188967 77439697 27007599 63803950 55021135 54467594 55393609 70274460 28537879 19047513 N/F N/F N/F N/F 35059474 160164992 N/F 227345505 223733410 72759558 368009769 178105584 35750013 60799893 17169556 44064732 80684220 211288803 127441083 163116576 123951421 92356056 302821744 68090181 66833872 332869300 176658864 191769438 50373902 86132871 76917882 51631975 84515546 N/F 135979143 124443973 128106251 126664422 133335987 130958397 47169421 17607080 12832734 N/F N/F N/F N/F N/F 136359 N/F 2-hydroxyglutarate 3864737809 3383547207 3604580120 3332258483 3597239356 3944623136 3309965368 3492948777 3589649059 3356323111 3342086223 3228761737 3362848977 3362907098 3840312639 3927300613 2765227396 3307665107 3893096699 3622058921 3816034804 3239077779 3834316967 3288384775 3211888009 3145980747 3239464953 3542972990 1733426105 1684425177 N/F N/F N/F 5266838 3304867156 3261777334 3506283708 3215793357 2989860075 3038290100 3008971657 2727676234 2705686589 2749185701 3399167265 2779792984 3186795034 3336069700 2562323021 2742753391 2579093179 3302793893 3576523197 2666794004 4681020971 2522357860 2485039331 3013574362 2930894266 2289831834 2742595248 3321102569 2786390527 3268631662 2971623597 3022967339 2993833432 3185343716 3025942865 3060283901 1517986002 680565424 770541502 N/F N/F N/F 11049258 N/F N/F N/F 2-oxoadipate_unc 1691719 3059134 3663063 1588794 1839961 27377651 3378306 65902762 17940384 16721082 2935218 3773350 3962234 3028589 2507889 2145270 2426711 2131088 2619928 2238625 2486361 2482280 4041589 2819135 2400845 5404832 2775345 8439137 3357182 3798456 N/F N/F N/F N/F 3183085 2575092 1532448 N/F 1294557 2912877 31572701 20256818 13099016 2383830 15250961 24217586 22591770 2208425 3886663 2724366 2371511 3104578 3762901 1946025 4766316 2474745 2563462 3996444 3583200 2613867 3512204 2685515 1360396 1804569 6750428 6511837 5574192 5943586 6039919 6686253 4025469 1317471 1474152 N/F N/F N/F N/F N/F N/F N/F 2-oxobutyric_acid_unc 83227968 85390602 86400703 85939213 68462858 106394731 106837059 108390640 81437744 88145310 88735552 92068357 89724280 87778217 87864612 91483360 95924882 98634124 97876168 93105640 88011299 89153809 93634405 93878104 88685739 92116082 92647547 90112701 30270861 28059300 N/F N/F N/F N/F 88114140 75096192 59688769 96859950 68776394 92468041 123473285 107413369 89499288 93156583 81002561 80251328 97929070 103036590 96035015 97038639 90891115 127836284 103968838 87298482 140668797 112187559 86637084 87757748 88733237 85114460 110143094 81720955 55950023 75862250 96338672 92987051 97369838 98727388 92169236 89370286 30729978 10876865 8758769 N/F N/F N/F N/F N/F N/F N/F 3-hydroxybutyric_acid N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 315706 446168 325457 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 18800370 13652102 14692602 N/F N/F N/F N/F N/F N/F 364785 3-hydroxyisobutyric_acid 46418211 32365362 36562254 34869390 2417744 54803294 46823841 39213664 39636964 46423967 49394581 28803192 26979868 26063993 3097473 28703626 29938412 19133838 33376826 41426822 34946591 34575562 30545856 22469213 26802055 25300043 25638003 38035264 15216848 16507248 N/F N/F N/F N/F 21678775 35871624 2504619 21314891 38047504 31358250 86121093 62940191 40587673 45476377 26784521 54824727 80825616 51277255 37934249 50411474 47497332 25106670 81636293 22317367 23082327 52370355 37729577 58295560 33430180 39686424 37531090 32706250 39779672 16164594 54857662 46930182 44179104 42868652 46471305 47944862 17964837 8193779 7544103 N/F N/F N/F N/F N/F N/F N/F 3-methyl-2-oxopentanoic_acid 3591046 66411183 3460615 3691377 N/F 59640528 116222429 87721625 76486322 78567270 30333535 62446212 46098688 42980965 N/F 2917057 N/F 61973959 50118607 N/F 51081638 25604978 77471869 43207025 42607386 41799377 41453669 42344527 13547747 13322143 N/F N/F N/F N/F 61087601 2663247 N/F 44160842 16590275 41464801 130979197 128074547 60542741 15349551 27511001 44351508 78638915 69517215 52838034 44055075 62584527 9963703 52928285 77395133 9808994 70957074 31504136 12431167 4363057 3026294 47315893 N/F 6836074 4005169 40958916 39392051 39707216 41448568 38350092 39769050 15175341 4066050 5485147 N/F N/F N/F N/F N/F N/F N/F 3-phosphoglycerate 1454440 384731 2944573 2236277 N/F 7627316 2983094 12823699 4506031 5306649 4750053 804798 1411038 1043640 N/F 1279528 1502869 1938299 3062619 2690337 1982244 2301881 1927681 380117 N/F 752838 597159 2525922 971054 829957 N/F N/F N/F N/F 1303362 1886602 N/F 801577 165902 392693 4361455 3969717 4484097 4060840 2246097 5131622 3355480 460842 794330 2754782 1759010 2586633 12976004 1691017 363354 1931148 1798757 4008459 1799525 1770012 1599369 1029901 1353529 8071149 2450606 2493636 3047252 2922001 3226904 2775302 849815 255449 178149 N/F N/F N/F N/F N/F N/F N/F 3-ureidopropionate 2870435 5521011 3418583 3412035 N/F 1578040 5476367 1612439 6317272 3716595 3733101 20248883 7090725 3445440 N/F 3142375 1440424 4648563 3898936 1960804 6082374 6472560 1693624 3968454 2357743 1845819 1879867 3140644 1600664 1472637 N/F N/F N/F N/F 1136230 1460216 219961 1386465 3019600 1396862 1802469 1491915 3772578 3037557 1466427 2349303 2344098 8035452 5156594 1903291 1688452 2866317 4365430 1454567 2548140 3107445 951693 2408983 2640448 1017451 2243067 1707126 2077903 2332097 2215646 2452593 2208777 2214976 2484044 4650894 1074252 280501 273423 N/F N/F N/F N/F N/F N/F N/F 5-Hydroxyindole-3-Acetate_unc 1472939 N/F N/F N/F N/F 6611343 N/F 4924404 2330088 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 1942578 N/F N/F N/F N/F N/F N/F N/F 949483 1475592 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 3351584 3249131 8227131 3335250 1318921 N/F N/F N/F 402574 N/F N/F 506839 N/F N/F N/F N/F N/F N/F 1349925 2030323 N/F N/F N/F N/F N/F N/F N/F 1337803 N/F 292157 N/F N/F N/F N/F N/F N/F N/F 6-phosphogluconate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F acetoacetate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Acetyl CoA N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F acetylalanine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F acetylaspartate 4646685 5638631 7307249 3892818 2347306 17420574 1450706 34248378 19802487 23564808 21362168 4574475 2552351 2747278 N/F N/F 3759046 3480205 5688743 1828767 6931488 6541110 2598476 7231562 7544185 N/F 3536206 11031055 2991738 3566148 N/F N/F N/F N/F 3681725 4152571 3867102 N/F 6036976 5490797 14153231 12957073 19722947 23880626 16464651 26984651 17062429 3683487 6700556 2559014 4868555 4316409 35416352 2031399 4955938 3160320 5641676 3506292 2612150 7494844 4373108 2904686 N/F 11662057 7482904 9879379 9096397 9391587 8426498 8641159 3960515 679439 829099 N/F N/F N/F N/F N/F N/F N/F acetylcarnitine 556357357 1482781538 348895969 593543605 10645247 206123850 2825887330 125007542 2376685577 2122515669 1131058208 582065654 367886833 346221382 52242217 53232264 9116610 303621812 314931688 106215228 261161281 241911807 425681701 547470240 537067464 530318617 533774406 642502056 254499227 241033413 N/F N/F N/F 340215 544562309 335799015 10965529 829011506 502345015 903168054 403475691 289187553 2363493554 706315044 388559712 800626182 3292555005 590461562 471731198 419424536 491701718 639925193 399186686 793731313 435349049 1096218904 310272815 393185181 538050679 504674835 1248720128 210897546 363087874 696761805 681188229 693977712 685164096 760027376 808486817 798583753 315239898 85742283 101898290 111471 204767 156479 N/F 331339 210630 N/F acetylglutamate 6517273 N/F 2727256 4280117 1970876 9671908 8216927 9860379 9458548 8403367 6370121 2101471 8427174 5404483 2088214 4279405 5778022 6379629 6343120 5532625 5993181 5729105 6532114 3535429 3807141 2690202 1871155 6689465 2570733 3029304 N/F N/F N/F N/F 5002161 N/F 2032518 1918826 2898118 1792873 7617273 5301660 9394425 6842725 3732161 6657681 3597282 4328842 6740330 5589291 5216180 7677046 10875810 5264680 5435657 3438632 5877030 4768064 5915033 5872738 3791640 4169988 4144516 3218286 4535570 3503897 4433278 6457991 6530245 6338311 1818313 689939 763843 N/F N/F N/F N/F N/F N/F N/F acetylglycine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F acetylserine 59081510 51398928 53206779 51867150 7808759 77798907 70238917 37165694 26246421 25818569 20672451 43645184 50504041 48947238 5847588 64690607 38811879 38982914 36585597 56853658 42071988 50819625 53067952 36880970 37725577 35951811 35197522 40316211 35112481 29340377 N/F N/F N/F N/F 58449882 49337866 7710840 46170593 79132940 68316248 48768739 51012160 26281105 34132562 16879933 34115664 26757780 71407562 70472274 50947563 56315395 73444466 54312795 68498892 50142447 72042126 49816543 68935669 57078790 60356922 60811857 43975326 53692544 13076682 51057016 56934968 52371291 51878603 45479642 53342574 33996965 12363514 13507742 62437 N/F N/F N/F N/F N/F N/F adenine 757176 2290112 3311455 3504775 1606977 1375108 1177450 1454938 1368272 1768661 2348283 2111196 N/F N/F 843020 3488629 2629783 2194668 647860 2039053 768115 612675 347725 N/F 567341 440531 791054 1662629 696477 N/F N/F N/F N/F 607499 2088465 3017930 816187 N/F 3951188 N/F 1931175 4047176 664623 1823228 1188584 1431135 1886564 N/F N/F N/F 539811 7638181 3821836 1067638 2829422 N/F 878832 1124249 447713 N/F N/F 2024960 754067 156285864 6454213 7028666 6948909 7225834 6607043 6858418 3301815 1429727 1226510 N/F N/F N/F N/F N/F N/F N/F adenosine_unc N/F 3808307 N/F N/F N/F 912421 4069480 1894151 373243 N/F N/F N/F 1258978 967167 N/F 579188 N/F N/F 764434 N/F 2063405 N/F 237933 N/F N/F N/F 546805 1072193 401043 N/F N/F 198081 N/F N/F 1015124 N/F N/F 406670 1116789 984341 N/F N/F 1366926 379865 247077 1848826 2696851 658534 523646 537354 663573 1493923 810953 2269850 657115 1858854 N/F 771648 1320761 1302493 5184513 431079 1261812 2460780263 86542973 91219420 91615399 95390567 89422943 86212276 31170344 12493886 11324161 N/F N/F N/F N/F N/F N/F 584586 ADP-ribose_unc N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F ADP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 52745 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F AICAR N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F alanine-13C3-15N 23821825 27283544 21228459 21554888 32420034 23076421 17087464 23424046 21492705 22021054 21140329 20794236 23318817 25897959 44014837 25915140 24634951 24508169 25361774 22693614 24027749 21827200 24583544 22705803 22471026 22965107 23099496 23406466 9020660 10767640 N/F N/F N/F N/F 24596678 20365386 39279237 25914632 23192539 22501537 17584819 17898125 16315224 15779627 21390991 15982098 15367389 18576167 17994206 18834297 17733322 22247027 18619957 17916474 15346843 15947232 20380975 15802084 16535233 18097232 18285881 18039341 12191672 24684296 18841784 18049008 20502356 19569291 19926836 18537964 7572122 2065499 2044990 N/F N/F N/F N/F N/F N/F N/F alanine 329251286 218117931 371939992 364871621 31883779 345979853 547653751 346184743 376331257 295036810 399491302 319618915 276844065 303748992 48278736 339192883 267589289 287812902 252943142 344849372 272519018 243472559 269819482 339150545 340506516 306909681 332899063 315207275 106154013 110794058 N/F N/F N/F N/F 312259734 356758769 34336505 257561154 263705492 290448157 359725580 288469251 382327732 338121226 168582807 382378801 426684451 326655341 271002741 326415333 264217384 404632316 469109624 216294106 411491389 597494394 311262923 349324626 325353620 317747874 370556362 237909755 226474734 389547078 312655578 333665751 329496655 357488044 364361409 353434373 109672379 29862538 33343284 N/F N/F N/F 604592 N/F N/F N/F allantoin N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F alpha-keto-isovalerate N/F 69477334 N/F N/F N/F 89780197 80640830 70973775 44608120 42715881 9336062 53965652 60825073 56312229 N/F N/F N/F 62749169 43502787 N/F 76375969 23088216 70170124 57490825 53096230 57473244 53639744 38273651 12018757 14627228 N/F N/F N/F N/F 55367900 N/F N/F 57495096 2553595 43782523 75332242 80031112 45681890 5330708 31197658 51253150 76199626 79518686 72066467 39897910 83007379 1769931 13756664 51488520 1836440 78916653 29773948 4219051 2998838 1564019 54683805 N/F 1866729 3129964 35991379 34656939 35802545 36150897 36695360 32692433 12753955 3753288 4026930 N/F N/F N/F N/F N/F N/F N/F Alpha-Ketoglutarate N/F N/F N/F N/F N/F N/F N/F N/F 18755577 11249583 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 495539 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 19897649 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Alpha-Lipoic Acid_unc N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F amidoadipate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F AMP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 1146308 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F anserine_unc 9934275 15557530 2917123 2710986 N/F 4626483 5250965 5468470 209023843 167248068 206710012 18182857 26857984 25599027 N/F 4060029 8256961 7583553 7237000 6652624 1070596 22643647 716978 33246913 37129156 36424241 37217649 37436624 18017567 18139474 N/F N/F N/F N/F 12172486 2839463 216589 3086101 1341422 862522 9050341 14583216 176191149 124255448 56727478 182064958 189981928 6432435 3453221 6609598 4008242 6113074 11838743 12997010 4642526 13648199 6963165 10481404 9210579 10868571 15320059 7509351 6604704 13592526 27393727 27692802 29246312 30665492 34130076 31223541 18427305 5257791 5215207 N/F N/F N/F N/F N/F N/F N/F arginine-13C6-15N4 641609532 797651991 641653310 667550553 981877902 645630202 526941868 740763952 592587738 627475515 582429668 679948581 699663883 721464667 707461348 722505330 844271847 684953469 723956665 681698247 679694613 731542965 711789481 710331782 683060767 725480921 700289385 650660325 352928520 337282145 N/F N/F N/F N/F 624020514 601674832 919971926 609096403 396446113 439833529 438537243 431642556 286696540 333380174 466580810 322160570 309617788 343632825 374969617 345639003 377587471 415161975 366234782 382993189 263691944 279446055 399477086 346836860 345501578 331451789 423922996 365217435 282539617 682093466 410203221 432613331 437073918 384552074 415392318 403491172 211490215 101799983 101326995 N/F N/F N/F 484519 N/F N/F 122081 arginine 2014783416 847273418 2027930482 2171463792 333395666 1714329775 3344448545 2216502145 2676013219 2241993863 2341446635 1876023526 1711131911 2104921289 188780714 1389172406 1193392343 1919756408 1790802134 1849391284 1815586829 1767723462 2208648726 1827962048 1764701295 1880796387 1819628701 1866173587 1006190256 971768545 N/F 1659937 2423671 6997102 1682432652 1886364016 305222613 1412763634 1057921054 1377080586 1782277192 1480453991 2269055789 1756635512 1252621258 2039763904 2650805575 1392311638 1562750572 1693545783 1622754687 2373830955 2466546460 1698886228 2199074836 2551686416 1563385546 1905096243 1768327439 1476059442 1692299069 1538569441 1317460076 2351411346 1802938374 1883072548 1919251718 1714280350 1820936114 1777181189 937047115 462809449 461494471 N/F N/F N/F 8528472 2456339 2093224 613088 argininosuccinate_unc 6551096 2933524 6273434 6079088 626071 4503366 4405013 2636078 3553053 2013267 3955764 3790142 4309318 5042143 209888 5053818 4972685 4195570 4558719 6198235 4648667 5544226 5553694 4584083 4460015 3835532 4010787 4184762 2398961 2431688 N/F N/F N/F N/F 8363817 5622308 610879 4597053 5028364 2482602 3846968 3011851 3103786 2706840 1488278 2884779 3574218 5429229 5881449 5116646 5802459 8332772 4555889 5081486 7464123 11447419 2934130 5040006 4384237 4475279 4313350 4170073 4983910 8485189 4989994 5036995 5094271 4961839 4934578 4682975 2739547 1349770 1263028 N/F N/F N/F N/F N/F N/F N/F ascorbate_unc 323726745 120366469 328744216 297465383 272768983 1369548578 452553903 489202855 284636660 256303483 276374598 903132385 1467292602 1016956273 206228130 312018607 269388454 1320827413 996804088 317434466 1316413305 609611281 1134689541 1587902756 1573323389 1400200228 1369243701 566225217 420739779 375220632 N/F N/F N/F 383126 399007878 150224175 50486410 418714349 89533251 861936939 260871079 186122638 147303984 171932463 292312737 489200065 530306738 377253206 852797710 191371635 853826903 225007372 227388875 896306088 279922054 39192279 191881139 188318671 197981861 218075729 1169750831 185046790 199805456 488310462 393524613 363045803 350636288 357379137 325509727 311132379 176206011 154061993 119875134 N/F N/F N/F 458744 94001 N/F N/F asparagine 12861086 13934855 15492719 15554418 2120350 10708423 80637380 10462185 21074020 19565239 18009597 23275170 15516040 13946918 2317307 11204463 9349710 12441094 13416571 15179117 10890097 19501950 12991806 18209246 17409078 17888539 17714411 16813428 6107291 6193999 N/F N/F N/F N/F 15738847 15138811 2406257 12249072 3007668 14231924 15134166 14734714 21674617 9391601 6135165 10546935 19340986 9543399 8970235 13447235 12252201 15399618 12990704 10622125 16867080 25737068 15248049 14094228 14450503 13782478 22197263 11493822 11315226 8629765 13495284 14083359 14068761 13074435 12570496 13937764 5192720 1509152 1792426 N/F N/F N/F N/F N/F N/F N/F aspartate-13C6-15N4 11570612 13459286 12469977 12824856 10708512 12445205 12447556 12905742 12603500 12297630 12976723 12007639 12051321 12435385 11982644 11725229 11057749 12255186 12673146 12165631 11371239 11937736 12408422 12523939 12788667 11645373 12904341 12844777 4936648 4657831 N/F N/F N/F N/F 12461404 13327799 13553512 12734296 12572447 12599472 7611650 7052886 7117011 6850913 7039283 6951813 7630405 7042783 6852396 6618661 7286168 10551745 8761484 6884587 5197643 6689840 7530706 7098366 6988386 7967631 7723744 6167203 4286943 12777404 8459888 8836872 8277769 8498427 8436091 8300013 3271020 1360442 1170125 N/F N/F N/F N/F N/F N/F N/F aspartate N/F 12055249 4931554 4588480 1340036 2264103 1785669 N/F 4456553 1328658 3444067 2215753 2355487 1787778 3396061 3416758 3455154 3677590 2100189 1994103 1696887 2590408 3349001 3306785 3582695 2400883 1986956 2903969 1628466 1555865 N/F N/F N/F 176954 5783070 5000867 1564937 3150362 11992732 7438183 N/F N/F 1494120 2783066 N/F 2098999 3132734 1844110 N/F 3444166 2057412 4186287 6268470 6861562 6715020 2392426 3476748 3056012 2294777 2884326 4363424 2030323 1773918 8553405 4295597 3087552 2270859 2958453 2256040 4376277 1806793 867545 1146865 N/F N/F N/F N/F N/F N/F N/F asymmetric dimethylarginine (ADMA) 65655893 218626387 69889862 72394226 7952154 114812204 608983044 157724161 249678572 189735284 182795145 92315549 100153638 124543919 7269458 77907379 94010041 83449463 95048406 69071960 64168349 63287091 94517341 115352998 109849660 110522584 115655338 135600395 54943145 56150927 N/F N/F N/F N/F 99077350 70507960 8612672 88703594 73533068 67604141 92608500 90250296 248070589 148403635 64409531 187901167 214368674 78715701 55371201 82986721 71352136 107920287 133954440 94671537 92786406 98424143 106716023 76920862 103735705 124363848 185022675 49998377 61980588 42726515 99832162 97284777 96673923 105323426 109135726 110219179 46904741 15736943 20045357 N/F N/F N/F N/F N/F N/F N/F ATP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F beta-alanine N/F N/F N/F N/F 2919765 N/F N/F N/F N/F N/F N/F N/F N/F N/F 3137804 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 3000840 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 497630 N/F N/F N/F N/F N/F N/F N/F betaine 1433654747 752583756 1198450891 1130191520 182692134 1935777600 3690321354 2224568710 4467745706 3898271487 3276532771 2087978895 2087960574 1965974114 144412677 773990864 843404573 1177720196 1055703137 991630926 925879656 733097421 1524519941 1737506565 1776103165 1722166020 1719854449 1842265981 681353226 638014958 N/F N/F N/F N/F 1253009230 1123643318 191965204 1193926246 1668186914 1196813717 2572325937 2150948595 4662844200 2493436392 1212030776 4265550064 7269389146 1220067983 1308898362 1275278832 1323379999 3469882922 4377350217 2126799067 1509343085 2263341839 1760372268 1825534967 2085069691 2296630468 2458511391 1206163794 1313355931 711117390 2015029431 2043961970 1987955613 2248162624 2373048080 2334142281 897564995 240535829 284717849 N/F N/F N/F N/F N/F N/F N/F biotin N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Butyrylcarnitine 61685846 78793739 39910083 43106072 3307691 23398083 342170925 14370337 185528169 165502467 147590717 45659710 27305763 29997813 4070015 42602440 23963329 32861229 25161560 30514316 23713762 21093657 50997836 36438320 36322866 35408488 37619108 59603951 22686207 21426369 N/F N/F N/F N/F 49588507 37102932 3790587 45962733 66867514 62843381 42249319 34455263 184021508 81642851 40741603 97949440 289240274 59415784 51743886 53320447 48596305 85364105 78617524 56065971 56241802 120954990 30067267 32605135 49440867 42266119 92068425 36590009 34803700 73542301 64152850 64502536 64671428 74345235 76022555 72119866 26575248 7340749 8528617 N/F N/F N/F N/F N/F N/F N/F C5 Carnitines 38611143 52743200 28203341 27260144 2320745 6161926 124128640 10092108 152502209 157027574 119703330 33668662 19551002 16011603 2655505 19120637 11716869 15988200 19339576 14444077 12053080 10005714 18350937 20492954 20224285 20417280 20925562 35346249 13019385 12490007 N/F N/F N/F N/F 32021244 26260466 2322133 27621057 41796898 38174595 53202262 37073958 149927711 73077304 33244527 94077042 276234915 45714379 28966550 24520613 31356752 48770142 47936271 41533415 34371406 66520455 17086154 21510252 23850221 28230630 40261233 14494687 24868824 17973694 45596328 46571660 45602776 50866998 53448195 54457642 18534755 5090986 5985868 N/F N/F N/F N/F N/F N/F N/F cAMP_unc 101190 N/F N/F N/F N/F 591757 241461 908724 N/F N/F N/F N/F 1095220 862178 N/F N/F N/F 747019 N/F 107836 647788 75044 669369 N/F N/F N/F N/F 269413 N/F 72397 N/F N/F N/F N/F 443355 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 648463 1589864 412469 406526 630302 339154 N/F N/F 339585 N/F 535687 N/F N/F N/F N/F 877894 N/F N/F 9613598 491576 384446 372998 255937 330270 623697 138928 N/F N/F N/F N/F N/F N/F N/F N/F N/F carnitine 1465714293 2170628182 1763581317 1777716777 154208254 660215401 5900192336 593525326 6549104833 6627789196 4620582475 1327558343 952006467 1049379830 156140592 1443877757 849725888 932234293 893585874 855482649 625094296 609101823 856493392 1322790893 1310421992 1270966823 1328047722 1930992844 721540763 682361851 194628 N/F N/F 473837 1314674879 1680784470 167051484 1262613295 1731585554 1782170592 1000916703 793660714 6589417219 2823322568 1447280223 3577175298 11518872425 1217599132 1073228215 955108720 1280584593 3125277955 3072479936 1857949153 1890741021 2792058685 1130804337 1076475099 1565989850 1609798003 1934507666 906750192 863090272 1309887912 2081849584 2170003139 2087082786 2340387725 2369826240 2435827658 897178561 247543359 306030812 N/F N/F N/F 1311571 576429 353417 N/F carnosine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 205033043 6027356 6734740 6456334 6294047 6982398 6444575 3126740 1047379 950147 N/F N/F N/F N/F N/F N/F N/F CDP-choline N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F CDP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F choline 610917987 424028022 591068537 580281908 62694819 968334383 1443282641 744352174 1297787777 1120938909 1127006141 794662918 790628087 910607370 85367259 456312909 493681622 526226309 350557347 484606431 439066230 364940088 737750219 673974171 657282980 669945463 679559879 698529815 212637731 212620279 N/F N/F N/F N/F 536228363 570352050 56257632 526902839 829436019 611187083 1088755297 889779451 1354491155 1165789032 413991700 1054057687 1372480092 686672805 679903992 647637446 700056515 1763149315 2084530627 755464887 818817525 1128844155 508164633 513930792 667452873 761182568 934328538 459014669 414398268 2532482602 848228028 869026812 853322022 922105445 1023939527 988896087 304232144 65863857 N/F N/F N/F N/F N/F N/F N/F N/F cis-aconitate 120306363 97847933 130738743 128539271 17415601 148052916 178584833 178944441 200696273 179012592 193140131 130485591 122558223 129287181 16013034 99611876 94703088 94389739 99848416 119335385 107909759 105800388 111358989 111723363 101341440 101673634 110444675 131779216 73832527 72179392 N/F N/F N/F N/F 115828545 135284714 13689159 110187516 113622040 110061590 151344657 136345122 209631995 205101837 115335271 237825581 201765953 119457846 94066120 144427326 110289775 156160352 273558695 118971665 121988394 181084465 135216993 139548570 109078479 117946320 121653520 89403065 108197346 16518719 128202312 132781092 128752870 141100876 147602049 145453667 78588910 33720863 34517393 N/F N/F N/F N/F N/F N/F N/F citrate 3554392867 3825887183 4206735581 4282170477 841092909 2792604989 5595062586 2357977771 3488025105 3052229532 3431245513 4417714921 3641196313 3606903573 653854624 2856168137 3296310563 3393755043 3433001971 3630916349 3388874171 3125695453 3406510396 4416176270 4350487351 4294809522 4521380103 3354372160 2061318358 1632902563 N/F N/F N/F N/F 3599265303 3979814009 782540832 3868879248 3774965481 4096917294 2525426180 2542546141 3463399868 3160824824 1959598018 3039957854 2734565724 4075312155 3558192479 3928232478 3862062680 4452320347 3462780733 3293621663 3482539691 5031587584 4147662897 3899938436 3577148505 3558203548 4046617556 3091280838 3219106944 487457794 3344809659 3349845696 3301051172 3436447826 3488306430 3604811193 1725372506 730245456 718780090 N/F N/F N/F N/F N/F N/F N/F citrulline 125014836 248352690 135027906 147252833 24738158 95509323 371755569 130464655 414269022 297977255 291922377 171290745 135919232 193046568 16379295 81744518 98454073 122900520 99477878 90823751 90033937 129154037 149124318 212171751 206843895 216759240 223381543 173863466 67567126 60940151 N/F N/F N/F N/F 221067769 131028835 24184856 124316967 155438439 176842206 84244891 88935392 403780292 189111718 124464561 229575008 500162564 119075758 113111412 165068818 180926991 285145996 188334291 167624481 212333618 184531393 140595119 151427087 215692158 178648945 261367247 144700600 111558693 148593928 178988139 182134925 182993247 190543232 201500604 200855331 68888452 18235581 16277733 N/F N/F N/F N/F N/F N/F N/F CMP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F CoA-Ellmans_unc N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Coenzyme A N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F creatine 13651004432 9122421576 13476077153 13659826869 1636597706 12654131082 14589436396 11059945063 12334899170 10282131727 13179432902 13799162239 12166391229 13036449714 1860575789 13700942655 13252903953 11125870105 10319449539 15163659305 12952215221 11882955346 11380397398 14248833890 14012757100 13452956719 14062839319 12250476388 5262564422 5196421317 N/F 1693992 2571598 5807162 14495083136 13941187009 1774650990 11420133232 12311332616 11809944967 12116241089 10448015380 13034849260 13105454898 6694974323 14985788066 16266504457 15137903265 12323335597 13256192820 11197553581 16162223034 17657849096 8803368019 16425635595 22769120604 11913831376 13141561196 12067578464 12030682595 13410084988 10933517368 10862151437 20787611471 12682229846 12644902021 12696903727 13638990961 15378017169 14220264425 6211171749 2041103375 2386909257 8639932 9522232 10389992 27087404 16231793 12790841 2411375 creatinine 3906359676 2476344352 3390473547 3107016994 428953856 4532432347 4059931488 2952254083 3828509967 3528462469 3400510448 2803426722 3324296394 3452614451 391575570 3163541966 2768439576 2338099712 2634571562 2997028494 2892036448 2597111493 3624680778 3068115434 2934282367 2981503174 3159269859 3192079555 1795747674 1894273751 257827 N/F N/F 3944099 3953039199 3160789477 509090692 3075488699 4592842921 3753243355 3874461010 4304785625 3743667238 3683964861 1913201945 3579460402 4046974940 4784257349 4280575478 3788809573 3593994372 5966035433 5956814038 4339692694 4110273156 4797722750 3510160386 3996377517 4321883171 4442999802 4786249277 3103465458 3521085197 88220530 3690100686 3910522144 3811553720 3989206046 3980211162 3815457360 2139868647 1846939011 1960143665 N/F N/F N/F 13647448 6965650 3805097 1318153 CTP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F cystathionine 777459 159955 361821 286130 N/F 3892697 984964 10049424 9285843 11198392 3454711 227652 678097 956207 N/F 447231 N/F 447734 339355 915937 411955 776210 1058587 266120 322382 338037 334306 1632779 886197 901962 N/F N/F N/F N/F 470874 152743 N/F N/F 311109 188980 10249910 5554104 8009866 4021588 2901694 5415030 16766803 1319892 409209 669423 237873 354167 11435752 423046 234057 706735 1438428 1436355 562595 550050 501762 662134 322144 1164031 1950759 2506186 2610906 2652484 2051979 2187690 1392363 605242 414648 N/F N/F N/F N/F N/F N/F N/F cysteic_acid N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F cysteine-glycine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F cysteine_13C3_15N1 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F cysteine_unc N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F cystine 1674345 5734742 5908271 6814767 N/F 6079156 26933418 7462555 7537596 8087163 6748071 11156820 3751067 2110869 N/F N/F 563835 2499708 935151 1704251 2040823 1477254 2656981 5670053 5874863 5936505 5287419 4300598 2652358 2017758 N/F N/F N/F N/F 4745088 4334823 N/F 5568597 7837329 11299364 9589283 5513236 5874517 6529158 2553780 3741662 29419230 2407387 1542834 3482868 3705301 4645503 12493416 3965980 1011501 6722146 3656442 8408574 3687055 3548177 6821126 2587245 1786084 3346340 6177555 6453110 6467201 5645912 5768837 5582608 2716603 1003081 828431 N/F N/F N/F N/F N/F N/F N/F cytidine 34134501 1308947 20893963 19422162 2529980 971716728 42018922 1647912152 23423098 17457434 19961121 22820202 26316086 27197780 N/F 24427173 16965029 20573489 21139027 26569038 21000504 20680147 27064429 21858452 21747220 21316438 23507341 150783543 37950156 42428730 N/F N/F N/F N/F 21988877 18858127 2728057 16994433 9966589 8122421 1013143457 1030586350 23433368 7591764 3286654 9492460 13317362 28767225 30315509 16671148 18972735 26615885 1519547418 15412754 23536637 32103958 48191618 107463074 23505812 30324542 31761303 15682990 18018544 276727557 199867937 206702706 197431996 212595680 211898054 209670311 84673764 27443162 29276355 N/F N/F N/F 73744 N/F N/F N/F cytosine_unc 3450856 2900470 1591136 2296267 1073566 8700151 2805017 1129404 5236953 3587555 3007396 2909262 2630733 4845848 243531 1904627 2820031 1108890 1280597 1217383 2985787 2693408 2080611 2328094 2640717 2558302 2323684 2850958 1116977 1172984 N/F N/F N/F N/F 2502891 1766015 790964 1905872 2178699 1576272 1812284 2052017 4658835 2373630 1954686 1524489 2642931 2549698 1208492 1666866 3365455 2454244 2659588 2148960 2579202 2096542 3157166 2303229 6337422 2405470 4623320 4124959 2692024 1072235 3318401 1955934 2522157 1932209 2854411 2645140 1960166 734527 690217 N/F N/F N/F N/F N/F N/F N/F dATP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F dCTP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F dCytidine N/F N/F 90276 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F dihydroorotate_unc N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F dihydroxyacetone_phosphate 687544 1187949 1219655 1217983 N/F 1314798 1688798 1892467 N/F 340633 361354 962383 599678 417592 N/F N/F 195827 N/F 804536 757766 590206 576845 1114322 375768 480364 539087 461960 608599 173189 N/F N/F N/F N/F N/F 242097 833421 N/F N/F 208951 475139 1085084 666083 229057 523355 N/F 496740 998580 203932 445225 1553075 575949 1102511 2323806 693413 487945 1211517 318821 724163 N/F N/F 339659 519500 383725 1338020 734406 661578 476812 355928 529573 643464 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F dimethylglicine 20319765 16703667 5628309 3774341 6124691 N/F 26564269 N/F 67055240 46525311 32426163 11368478 8839693 7482921 N/F N/F N/F 5630762 3375440 N/F 4201933 5702738 5576384 25240639 22713247 26487258 27689644 12254797 9975358 17615581 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 34718705 17987566 N/F 38798760 51026084 N/F N/F N/F N/F N/F 20350539 N/F N/F N/F N/F N/F N/F N/F 17748669 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F dTMP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F dTTP 439522 316851 929543 923207 1780109 661109 199286 884938 1005191 990229 641256 913174 920674 755234 132381 303312 670891 601853 1117231 914697 907748 1088155 1307496 256460 712604 978544 714477 232094 1866938 882010 N/F N/F N/F N/F 452236 710055 1599545 676787 498775 610223 605885 779539 61187 82134 1079925 218503 395285 331007 465295 108855 714531 152335 105307 437003 67662 82609 383325 866318 332692 66381 108202 1509402 1121237 251427 526102 439166 750680 382212 116568 442584 720669 2101289 629466 N/F N/F N/F N/F N/F N/F N/F dUMP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F erythrose_4-phosphate_unc N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F F6P_G1P_unc 589113 492553 866475 1039883 N/F 924277 1129607 282708 313264 288628 297488 437690 420366 463266 N/F 715698 599121 239562 416836 455646 484955 531092 629649 387706 383245 462193 346371 527198 183857 128214 N/F N/F N/F N/F 603695 755127 N/F 623278 1266355 862393 425467 395654 187508 289340 124700 232458 198485 657343 861924 529037 714352 1674548 1240045 1129642 702363 1467640 679257 856066 1302752 1082569 1479228 408641 495594 850403 974908 782043 866511 686123 643370 608436 157316 67594 N/F N/F N/F N/F N/F N/F N/F N/F FAD N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F folic_acid N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F formyl_methionine 4471986 1323184 2471210 2542331 N/F 9906486 12278918 6891161 7478778 6282935 4097497 3790134 8136537 8131797 N/F 2220846 420425 3212048 1618407 2371418 3677439 2802981 7971560 2453871 1452208 1463392 1705177 5198956 1834123 1305896 N/F N/F N/F N/F 5756558 2009218 N/F 2439424 4336081 4624826 14002104 9314569 6770864 4587223 3195386 8475491 11998554 9680750 8635016 5573864 5583711 7264602 14053389 9246202 2922825 6773957 3501694 3143138 3804466 2681406 8099868 1985869 2693182 1190250 5822950 6331205 6302809 5519750 6132373 5915325 2282817 722951 771418 N/F N/F N/F N/F N/F N/F N/F "Fructose 1,6-bisphosphate" 297999 131618 297447 344642 N/F 311909 309096 170980 155864 42015 27555 240719 193051 203707 N/F 107540 151774 86590 70179 129508 213121 93271 248493 146320 245838 286891 149068 242202 18993 N/F N/F N/F N/F N/F 234025 417355 N/F 435907 717573 467875 190916 242650 42996 68430 90572 45039 261802 405434 365730 169367 201545 417699 434897 263235 299558 458712 143164 353931 279087 261392 506407 171945 142094 23842 323144 248825 290599 220664 266126 226748 19649 N/F N/F N/F N/F N/F N/F N/F N/F N/F fructose N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F fumarate N/F N/F N/F N/F N/F 13709580 N/F 28015549 15004545 18520193 14313663 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 13375700 10990267 19054001 16705262 12829517 19366701 10167558 N/F N/F 4993315 N/F N/F 21831713 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 5776271 7070405 5481004 6060026 6353887 6584473 2893629 2671079 1812919 N/F N/F N/F N/F N/F N/F N/F gamma-aminobutyric_acid 15809867 8490063 14225255 24691909 N/F 9529987 N/F N/F 18641521 N/F 5241670 7414846 N/F N/F 4748881 7595390 6516070 24246854 6020746 4854892 7908349 6928544 N/F N/F N/F N/F N/F N/F N/F 4106587 N/F N/F N/F N/F 11901552 N/F N/F N/F N/F N/F N/F N/F 7758639 11676033 N/F 18078825 14284854 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 58329163 10883193 N/F N/F N/F N/F 10347261 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F gamma-glutamyl-alanine N/F N/F N/F N/F N/F N/F 10036402 6818212 4553629 2442775 6764173 2453051 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 2659954 N/F N/F 3315311 8441412 6673714 N/F 8212105 12056602 N/F N/F 2597157 N/F N/F N/F 2138677 N/F 3856245 2365592 N/F N/F N/F N/F N/F N/F N/F 4972986 3572930 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F GAR N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F GDP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Glucose 6-phosphate 245959 150301 348955 274446 N/F 213303 402963 104541 128583 229212 145992 116354 59319 77532 N/F 261814 279381 41678 275776 205600 110728 220250 118408 123301 41036 124116 167856 196541 95574 68770 N/F N/F N/F N/F 120421 266111 N/F 135749 186673 282261 171537 118836 178729 137068 117641 106092 142652 63189 65522 176812 126739 488679 490933 188864 145160 285031 193350 157293 229570 159085 214805 246520 241939 1447233 169726 226371 204331 342325 316625 213756 60983 28614 16494 N/F N/F N/F N/F N/F N/F N/F glucose 48305722 26985941 92068595 86549291 7794966 80731206 45448120 90580858 52361626 40066121 59157216 43715451 46052179 34696556 3620649 55326145 42862544 57966467 56156507 47773697 40809807 50010317 79201328 50867403 40022522 47249023 41096707 51678699 35046850 30433013 N/F N/F N/F N/F 41048071 78991743 9918557 50426880 21970498 34528335 117262912 105834239 54072466 36943027 32046692 44773748 37508626 42731211 47016703 57439452 55688352 38786091 82890103 70179756 45901884 73190170 46084554 56348335 36359302 52711616 41073448 46354708 40585779 17999480 58817654 55214131 48566255 54940425 58236571 49338609 24866170 10257677 11308616 N/F N/F N/F N/F N/F N/F N/F "glutamate-13C5,15N" 16226944 17470137 17951789 16724903 15472087 17469292 16802428 17236133 17771349 17360378 17514747 16027425 15826567 17197765 17802262 16626064 15172595 17335439 16507227 17026787 15936481 16862232 17319933 17629387 16812869 16796589 17576733 18212485 6725151 6709572 N/F N/F N/F N/F 16982129 16956499 17993111 16529296 15772283 15317288 10002790 9300527 9541071 8994390 9788894 9881775 9910586 8987600 8777354 8626327 8601612 12868645 11107701 8889400 7452648 9983354 9905364 9147243 8935237 9335830 10494396 8572746 6259143 18511683 10966547 10835438 11425372 11768507 10734799 10990573 4191579 1577152 1517413 N/F N/F N/F N/F N/F N/F N/F glutamate 4305901 9766368 8467828 9060955 1404454 N/F 9661069 N/F 6850931 10183953 11251816 N/F 2722661 2685673 N/F 17761355 17236414 N/F 3395545 4343528 N/F 8026992 N/F N/F N/F N/F N/F 5711784 2968653 2323685 N/F N/F N/F 312160 4616362 7409683 N/F N/F 24368885 7652173 7789094 10167013 6925753 5607027 3075213 2988102 5676535 2550168 2661600 4410424 N/F 8556049 9942011 3353886 7653970 3708167 6832735 5061301 3828902 3839833 N/F 3567424 4183217 24251447 9939907 8114854 6194971 8970457 5178059 9073304 2445981 1905363 1962577 N/F N/F N/F N/F N/F N/F N/F glutamine 8072968850 6225638337 7836262934 8040591503 1579097865 8243891185 9569411058 8918923039 10014161542 8735535181 9226175797 9570943614 9376017178 9104644296 1646892537 6283047084 5349013627 7461038490 7460788670 7734218430 7093824319 6633192171 8526095067 8714761984 8809752228 8651878113 8963500361 8228468103 4086669202 4180216964 N/F 644553 1316952 4659909 8018116027 8180112731 1723946496 6733153840 7335503961 7894339883 9173288961 8273391363 10132582829 8870413758 5891690888 9596337857 11147728120 8326583580 7587338487 9011955095 8408136701 8855724220 9108766862 7549947246 8063672636 11571681102 7351674147 8567122198 8056619121 8057455826 8867171806 6290251683 6665507030 6605789771 8266040535 8129015996 8256797649 8311657966 8795312809 8547092644 4334089640 1779355304 1783146494 292454 395827 453209 10108043 4517448 2160934 1332908 glyceraldehyde_3-phosphate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F glycerate 1993004746 1833027999 2114219477 2064546517 1473276815 1835526265 1881006085 1843365057 1814419546 1878728837 2023929075 1783816617 1725803226 1846143097 1762156311 2107741680 2015112842 1797608478 1815354500 2037202056 1680166942 1823458664 1835536883 1793598664 1791411016 1790405715 1847794064 1920857634 725681006 708376812 N/F N/F N/F N/F 2036822936 2338730231 1769928005 2074766061 2294949802 1796722972 2151499615 2018208857 2079911066 2170493061 1857651145 1914518968 1929245727 2032389039 1828755943 1960450703 1716852657 2865327136 2817551711 1912197312 3168572595 2200187882 2239583747 2095837658 2330322274 2256853849 2280382385 1773826403 1390564649 2012374513 2112693242 2115364149 2127923981 2235134534 2184281401 2212830662 808222252 258815181 282027801 N/F N/F N/F 2442081 N/F N/F N/F Glycerol 3-Phosphate 4526290 3610674 6913310 7130834 424502 7648573 7396647 7883244 3973603 4044696 4290133 4815232 3695422 3977571 347636 3690622 3523102 3497564 5817002 4383950 4292847 5289427 4838826 3764475 4184871 3958255 3739620 4577276 1814946 1524873 N/F N/F N/F N/F 3223085 6752593 470467 3886517 2900661 4010385 4096543 3571302 3546566 4367019 2540908 4835030 4264225 2184736 2476143 6908227 5199923 7333942 9068444 4536922 4322348 5704926 3717205 4990316 4475181 3604588 3862190 3956523 3495094 9818148 4401746 4532453 4497822 4806488 4595022 4479704 1615209 449002 472147 N/F N/F N/F N/F N/F N/F N/F Glycerophosphocholine 8208851 35136863 N/F 1079167 2843253 78895688 8962577 443598452 164725953 17523400 26511565 N/F 5585082 1690725 159006130 N/F N/F 1084045 N/F 1299198 12423681 N/F 2833346 N/F N/F N/F 1647154 37264829 19205148 13531917 N/F 79394 329659 116887 6967542 N/F 2703844 N/F 3856899 1739171 3205170 18249232 166190037 24149850 76017485 357015093 229616957 1763142 N/F N/F 2051267 3597273 9674527 12521637 11756794 N/F N/F N/F 4576929 2700798 10753488 2034313 1209124 324761843 43028816 43690962 46474610 44612687 55923860 52633006 18436301 6912722 5703744 547760 593070 599288 584513 251136 286796 80459 glycine 4350218 15824478 3414885 4704048 2986693 3947831 15680828 5155458 7610685 7128938 5656732 5117543 3999103 4569845 3549323 4160093 4414505 4113619 3181912 3585533 3341454 3809269 4267134 4476964 4316196 4794439 5238904 5577524 1573085 1836678 N/F N/F N/F N/F 5618847 4769145 3917819 4991699 4617649 4486359 4901289 4437157 8609611 4884947 4179910 6122293 7996650 4517992 4007527 4890384 3937362 6680394 5437022 6040759 7784024 5960272 5293898 4461379 5563600 4948493 7468291 3522654 2429804 7426924 5280630 4815520 5712446 5857627 5716539 5814660 1788693 398671 454933 N/F N/F N/F N/F N/F N/F N/F glycine_13C2-15N 1396556 1369730 1215784 1382076 1516636 1310622 1302522 1496479 1283007 1397605 1227611 1353898 1222720 1472648 1507058 1523085 1409496 1316813 1394176 1415451 1463311 1471490 1497635 1342832 1136139 1498657 1545549 1831428 393035 417632 N/F N/F N/F N/F 1251147 1474223 1756275 1371792 1343990 1282554 891038 516528 707710 573853 716589 677236 908803 956269 738985 695070 690049 1058709 789803 618160 513151 742066 680685 678040 708172 720037 847206 669634 475291 1715514 823969 928342 1006161 939095 1016103 818220 270713 N/F 49417 N/F N/F N/F N/F N/F N/F N/F GMP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F GSH-13C2_15N N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F GSH N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F GSH_13C2-15N-Ellmans 3055494 4005293 3222904 3206101 3231191 3236873 3533451 3485878 3216925 2991644 3336908 2992936 3147178 3175930 3372661 3267277 3004631 3247686 3494264 3108048 3278545 3158899 3114677 3690665 3398741 3257781 3444161 2840316 959109 749028 N/F N/F N/F N/F 1714588 1701827 1301962 1304952 1339503 3334678 261506 163364 172172 164743 210871 262248 238874 253072 173968 79223 91466 315320 183064 177720 201348 45064 220636 190399 184725 160319 262560 173687 92605 2143770 638657 658340 638692 776168 736601 792366 178231 14260 10354 N/F N/F N/F N/F N/F N/F N/F GSH_Ellmans N/F N/F N/F N/F N/F N/F N/F 273156 N/F N/F N/F N/F 82662 N/F N/F N/F N/F N/F N/F N/F 44169 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 71510 N/F 121732 137384 119822 181663 539157 N/F N/F N/F N/F 88123 231445 N/F 128059 54696 N/F N/F 100603 N/F 275563 51996 N/F 1819949 100697 139657 160131 128951 146669 158455 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F GSSG N/F N/F N/F N/F 32520 258592 N/F 1874424 872021 884506 727898 N/F N/F N/F N/F N/F 48972 N/F 73011 209865 34675 39337 31806 N/F N/F N/F 36737 176772 46692 47417 N/F N/F N/F N/F 54410 N/F N/F N/F N/F N/F 139187 117695 747881 854869 759406 898180 87074 N/F N/F N/F N/F N/F 592852 N/F 107121 N/F N/F N/F N/F 30577 N/F N/F N/F 1138173 101826 210152 180839 99672 168928 91536 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F GTP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F guanidinoacetate 4110865 5634796 8551228 10681682 745105 7845130 122239149 20983143 113259735 98755067 84941363 3628221 3311563 6579981 1551191 3079760 2768908 3054841 4692021 4564642 3135528 3210346 4647482 3511223 3698248 3896910 4530081 27073993 9416983 9813477 N/F N/F N/F N/F 3239242 9561069 649306 3226211 3219563 5474370 16852053 9244477 111668353 55113546 35373629 120939029 249908576 3124065 3064039 3446890 2797652 4311046 21795919 5364082 6905305 9179732 4933214 7030459 6644743 5267780 7725075 4944312 3236371 9591058 23505608 24408667 23655315 26236030 26179947 27103852 10245045 2855688 3062241 N/F N/F N/F N/F N/F N/F N/F guanine 2369618 512041 2075121 2234192 465494 1784779 8274099 941111 2651770 2972082 2230366 1885419 2124441 2300999 N/F 2018430 1219957 1944512 1938886 2960488 3239347 1644128 2177748 2168476 2246334 2497228 2576739 2223404 963593 1153612 N/F N/F N/F N/F 1704362 2205073 235451 1941519 2009550 2437068 1085399 1524264 2391169 1007895 846554 496198 618652 1779782 887901 1360203 1597000 1489975 929769 2416808 1854811 2641366 1944116 2433146 2131186 1811601 1276624 1883125 2103354 119002891 5314513 5503028 5534271 5596693 5675613 5769455 2865785 600615 880817 N/F N/F 40360 39733 41866 N/F 52022 guanosine 2725052 695687 2479139 2361832 285600 2105052 7613581 836743 3822026 3598846 2850701 2626667 2357985 2232140 N/F 2975535 2850008 1989583 2007707 3933990 2573056 1860136 2835282 3065776 2699976 3338983 3190453 2528412 980279 932765 N/F N/F N/F N/F 2935742 2611719 90581 2217495 2893779 3087602 1218962 1431042 3570114 1371318 671132 568224 408796 2462638 2092346 1788764 1934989 2215449 1726674 2476884 1845073 3226868 2519386 2967569 2495148 3032834 1680512 1920350 1931777 144201434 6036617 6611517 6180324 6298556 6280943 6090400 2754378 712532 684810 N/F N/F N/F N/F N/F N/F N/F histidine-13C6-15N3 1154928628 1088567396 1157766390 1162913723 976267754 1150651427 851640770 1314709123 1136967910 1157231481 1109280421 1074999969 1144309514 1165853969 1112006629 1173986574 1135513009 1141441003 1231258550 1047052801 1177808421 1100347069 1240537536 1020766561 1112411471 1060668561 1151099494 1221199670 529572558 559816955 N/F N/F N/F N/F 1016300093 1238392750 991191631 1077579626 816721097 922441695 659459673 633694844 658223312 647370970 543656566 590617503 402570131 631638832 530520380 678315346 586354930 650958729 629537875 646621650 457052762 540601993 672225715 563303063 528738933 629104088 575640355 549553825 451324476 761435787 664323120 662969496 654148691 742454648 782827957 731206785 360232902 132642915 140552203 N/F N/F N/F N/F N/F N/F N/F histidine 1505721570 1277740073 1818624294 1967571470 145259562 1897133775 3734279548 2210326323 3112426766 2209162661 2790579087 2153976593 2505930125 1990759145 177431041 1943434881 1540792444 2204068699 1668821509 2036221398 1544447434 1939162889 2051067277 1649002090 1736638553 1742202317 1813351299 2156991056 931654894 995550989 N/F N/F N/F 2149952 2126489649 1958849330 148829090 1314986886 1454607015 1758767248 1191791067 1238406663 3166185502 2056003828 1070808150 2579079692 2713861560 1568456043 1350309916 1385354629 1416293115 1755714707 668646231 927490300 1808075787 2436969875 1476270877 1749377567 1925850168 1804259335 2217487647 1180413634 1476832224 907490575 1593657744 1611848231 1638955147 1794067154 1916518530 1797652480 852038828 317234099 333279088 N/F N/F N/F 3415468 N/F N/F 639231 homocitrulline N/F 9584388 1762198 1729694 N/F 2921087 3250601 1389804 8977610 8874965 4354963 6557550 3097458 4330096 N/F 7029597 4605146 5090466 2187745 1704607 885754 2504926 7879466 4212465 5206729 5296907 4966783 3375489 1918145 1609059 N/F N/F N/F N/F 4245688 1357172 N/F 1832936 3131221 3267372 2066991 2884546 8482280 4360710 2801449 2598926 8182879 3227989 3239667 3357038 2835617 2908460 4702203 6582247 3051377 3406853 4232717 3360004 4647012 7391137 13590102 1963964 3651685 5027162 4211951 3322291 4195428 3489831 4813506 4524161 2011878 576799 432993 N/F N/F N/F N/F N/F N/F N/F homocysteine 3259446 1849491 955065 1049277 58788 3317907 3654398 2351657 4771163 4543602 2799999 1875117 1514857 3225899 N/F 1807878 564991 4508382 1718232 968612 1181690 2072455 2406915 1245005 1455637 1556142 1807345 614263 507304 597687 N/F N/F N/F N/F 2218279 821164 121932 1071064 1332616 1479085 1554443 2351315 4087471 2032449 1479944 3115229 4562467 1231810 1161321 904353 1535374 2020405 2904941 1170436 1282360 1957037 842782 1226765 4339824 2452845 4082635 796448 2421096 41160 1861214 1977598 1868417 2159809 1777516 2004976 483774 89748 76677 N/F N/F N/F N/F N/F N/F N/F hydroxyproline_gammaALA N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 3325845 N/F N/F N/F N/F N/F N/F 1898046 N/F N/F N/F N/F N/F N/F 1266926 N/F N/F N/F 1458522 1379766 N/F N/F N/F N/F N/F 984917 N/F N/F 1837908 N/F N/F N/F N/F N/F N/F 1345136 5308363 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 1449883 N/F 1370838 1041569 1164869 2132236 1474084 1454178 884512 965401 809581 472023 N/F N/F N/F N/F N/F N/F N/F hypotaurine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F hypoxanthine 377730786 117987939 357043820 312745988 44857402 523001932 933572305 498433160 182296090 168207530 211132443 174727473 328515011 340540413 32462597 244793045 277060214 263733435 395064114 275035672 353682552 215328418 396302809 259191774 248533262 268249676 255529369 327922694 307194461 303356121 N/F N/F N/F 342320 283717310 333060621 45295496 176188825 285314607 192527380 257990017 355711417 151811200 187835387 132355913 182385241 128228936 385005080 351530459 259221212 206897226 167253919 259353617 286895906 101164015 453734545 291987427 444333435 251668693 334081397 176545571 280241706 423401042 2068014337 316400897 319964114 315508343 327579645 320688142 319333785 342764290 193864493 210471455 N/F N/F N/F 927415 387517 158399 N/F IMP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F indolelactate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F inosine 18837312 6967201 28295471 26935677 2421395 13584089 24562471 5103365 10658480 7983161 7614243 16016028 17656214 18624134 N/F 22113697 18411840 18799155 23676307 30322630 18324594 15286266 22976482 22481805 23548060 21469421 21508018 15751672 9507325 8750585 N/F N/F N/F N/F 26931140 28541524 2383302 16953461 18350176 17377612 6194232 8058767 9774689 4700944 1569167 3614632 2680225 18937496 16393005 15720481 15709044 24286062 6892704 19458856 13919877 21098958 23457381 27095092 19902391 21443962 17587777 15072864 20226062 669109557 37147977 35577414 33445784 38721754 39081486 38193544 26250389 8652700 9930749 N/F N/F N/F N/F N/F N/F N/F isocitrate_unc N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Isoleucine-13C6-15N 297387653 301916746 284372720 281372166 264701643 329021594 263196795 320332735 262591297 266454021 261754034 265394137 271157336 295510096 141357855 340513546 302740688 280094997 298158808 279126463 323395451 269653334 297314085 249492325 268364076 272822206 298075602 303375362 66829951 76842527 N/F N/F N/F N/F 328969836 295209541 385404838 330070953 295580658 277450969 194408096 178900530 154189931 170674596 183903648 147819293 168047068 149180789 162243569 142011679 140011895 253668424 221321559 171446044 185107344 148212259 159321403 161174868 166381669 153450340 193848025 151404755 85430843 279553075 192105901 203589644 196978023 197787506 193012777 188467789 48809883 17376689 15709601 N/F N/F N/F N/F N/F N/F N/F isoleucine 178045452 184077381 114547820 129330134 11456976 72519647 625500398 82561991 195458803 193889270 129316845 242828432 100742372 121219484 9960073 155481277 93976131 112723042 125726135 105417529 96681165 130658777 119811597 138603989 138226171 147642074 164125998 155332483 32133341 37079243 N/F N/F N/F N/F 164452284 113036015 13507356 124449569 152033401 186863531 141995058 143193289 204052470 101442697 44680907 85120497 177517012 125988077 107829500 112704031 159369705 218758679 N/F 189957982 328381989 262784213 115735792 143206999 156555625 155648419 235571296 91341392 121506778 100216555 142036742 144902932 164415920 152154493 144889593 141150354 35446752 12147946 13048621 N/F N/F N/F N/F N/F N/F N/F Itaconic Acid 2953835172 2547908233 2729446882 2547615839 2686778920 2946924568 2529782447 2619818671 2749789968 2561028575 2529277574 2398046640 2579510084 2566316154 2975822168 2986021034 2089680049 2499792384 2957002377 2741481137 2845822262 2448038731 2907663194 2468986983 2402121906 2396384372 2479903212 2720041171 1275379511 1264594013 N/F N/F N/F 4661310 2464220987 2509866121 2602835857 2435249043 2295777504 2321637944 2286016493 2078407514 2070958573 2099698780 2571609889 2143899520 2446604785 2533769295 1931911641 2089842769 1932452940 2521394127 2726560497 1995081479 3659190900 1923639282 1880044563 2296115617 2218856326 1712022541 2105069980 2550710765 2148599264 2530343903 2271801018 2305371474 2278703385 2405257936 2296078080 2366561702 1125272318 500822951 545746928 N/F N/F N/F 8390220 N/F 1703035 N/F Kynurenic Acid 1269567 1260540 883696 774726 N/F 2510747 6264479 8618712 2869526 2327852 3204323 3092455 3575233 1562964 244063 1093839 920632 760269 529007 727211 802440 519250 1029791 1601111 1280982 1346405 1505563 2214621 1038355 940396 N/F N/F N/F N/F 1691626 671272 N/F 895448 5353249 2529567 4075268 3916221 2425393 4820065 2624409 8651062 25730464 1767583 2165283 692818 935879 1374844 3460316 2099699 1296158 1072970 737603 1743765 2497457 4928808 4034833 1034349 1422672 N/F 3257850 3134487 3330092 3038442 3215554 3457504 1308790 431344 637482 N/F N/F N/F N/F N/F N/F N/F kynurenine 2847149 5086692 4974282 5311563 1035283 7068085 161674270 25201035 21748791 18188665 16644509 24339241 12867502 11410286 502600 3842573 4814276 4146044 3178359 2220712 4799489 3699087 4914092 8016746 10033267 10209340 9118357 15673004 4592658 5751561 N/F N/F N/F N/F 6402955 5257495 940538 6031094 16194310 15940327 7113429 8108784 17979925 15496282 9076611 59286771 224929336 3617757 3713591 4766933 5878850 4843176 6890762 6424909 4439552 6166243 3897930 4476050 7948737 15172947 16755191 6039793 7761233 1612652 16130849 16797288 16998898 16861436 17404104 16867844 6415552 1370013 1411040 N/F N/F N/F N/F N/F N/F N/F lactic_acid 4665350209 2766596358 5756009612 5727358905 319426197 6385649538 9949024516 5472021088 5349881953 4623008469 4416873050 4241113105 3974112576 3723766269 344879968 3835000490 2975318053 3708728781 3895954115 3558323635 3110260425 3543064265 3908788934 3780705943 3759780855 3846918329 3798423158 4278412817 1943728397 1955890976 N/F N/F N/F N/F 3549619303 5777401922 408063303 3580702839 3698655062 4043608182 8751416807 5594999885 5285567144 4279958477 2480750275 6416709879 10017333795 4433308639 4117785836 6598036241 4480833578 5931385644 10158193649 4866406647 3941409463 8222825387 5450632206 5726889343 4279569689 4450361350 4445026810 3008661258 3033917530 9284385726 5360256179 5298067122 5444258847 5401879849 5355725949 5287318825 2373471853 879488844 869361898 N/F N/F N/F N/F N/F N/F N/F leucine-13C6-15N 243133380 234207128 248984993 260765627 321187032 261908267 251560455 301985861 232003336 239546088 213585933 224369901 233760477 264389723 551000583 304155041 261376307 247793245 286375830 255867790 264902705 240655030 260286872 215024561 200449967 209520126 211254085 266211396 68760260 75573529 N/F N/F N/F N/F 271134622 256936069 413227273 261658147 256853957 217049194 176367991 153588293 147091976 132946456 174198748 131927214 137904812 138156746 128007901 129343835 115945361 166242635 156779154 145207336 108305737 122646235 136014895 128729657 129974704 120725372 134209587 124101270 89463421 258051807 155757589 149059719 153426671 165592595 153308126 159576493 48251687 14134291 15074597 N/F N/F N/F N/F N/F N/F N/F leucine 287993451 292998828 263090216 291408176 32513095 218743685 1143461805 249713544 411339076 301273128 266625139 461083675 246756560 234677371 42734676 334137834 220445386 240322962 278030529 232753278 232409532 269385357 342697109 249326966 246847417 254293416 250055455 314682254 77006020 89111859 N/F N/F N/F N/F 286364771 272161130 38201098 254153082 365251244 395302626 267756939 300271806 401882183 217255576 117291052 258399965 308059598 253434827 240229277 259713957 466918108 296974890 309769948 227658660 404503308 577472295 295679040 320365926 271451513 259536564 344995230 227004925 277356431 196969398 282703095 302117347 271502857 289749500 298812521 297392675 89705831 25009563 30881211 N/F N/F N/F N/F N/F N/F N/F lysine-13C6-15N2 86209707 93594302 92018074 96326272 95152751 87255105 83052452 100443874 93175040 93720187 86717200 94467726 87748163 102038387 84455438 89031268 97913986 90301965 95895011 96322296 83847639 94993300 101306801 92455493 96663340 103562793 99596302 94356745 33653738 32571445 N/F N/F N/F N/F 88231128 88970895 106122187 91508784 92381060 89237139 51929460 48671263 44669620 42907574 52172251 43289499 48391629 41523598 45814150 39346459 46006849 64939587 52499186 46189376 34606913 40375381 47621142 45975342 47228528 41893505 53745745 42818765 28314451 90932249 55973045 58345614 62321269 54212017 57507402 54123957 19479287 7137834 6866460 N/F N/F N/F N/F N/F N/F N/F lysine 262985201 202668312 291572568 319370411 38797947 298056141 694635245 318259910 336458510 309001327 299983394 293941993 235685740 261407338 21923859 254883348 214748080 251454612 208814288 274561118 297376168 247865894 355345862 250017716 265518716 285384805 272824855 283191847 105041402 101740094 N/F N/F N/F N/F 223000185 275729254 42167885 243077489 288769189 358110132 294295938 308508277 307225017 308428879 192595952 303834700 511544476 181036948 222444391 183296963 271272304 380988181 385786229 250860039 327722468 425045663 318826767 386190467 373673713 256739845 397735580 252887415 216684814 737259838 310914101 328926514 344116645 305366551 322725299 307653510 111016426 42257493 42029346 N/F N/F N/F 917158 316328 N/F N/F malate 35021374 45072473 36993476 34868819 25831837 153230027 39536476 348876126 219071595 216933393 202751271 33287940 35267640 39855842 23943328 36611848 35161882 34417959 34740403 42657953 38034891 33707887 44615997 30651438 33509628 32433223 32653433 83446491 40652619 40149547 N/F N/F N/F N/F 34810838 41135561 27585902 40451396 33614753 33922225 176466148 147078384 225172957 232687574 138415113 224015449 139722324 33680972 35209107 42058729 31085275 39139739 245444850 34122113 47837077 42587476 38913078 42366786 36350697 36560244 42207322 31356117 23107509 50899043 79143722 79340520 81616634 85761616 81956799 84670438 41044754 19444876 22183509 N/F N/F N/F N/F N/F N/F N/F malonyl-CoA N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F mannose N/F N/F N/F N/F N/F N/F 7976446 N/F N/F N/F N/F N/F N/F 6478266 N/F N/F N/F N/F N/F N/F N/F N/F 5830791 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 15212314 N/F N/F N/F 11443521 9828552 N/F N/F 8441239 N/F N/F N/F 5724997 N/F N/F N/F 20764439 14722413 16971518 2917252 6845590 N/F 7335356 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Methionine sulfoxide 220990650 68087391 415071317 415141204 30653011 22452994 94850836 19124868 158174686 148465494 167076669 58083996 46000791 45834761 35754346 197702224 216914339 18887210 46031848 247575456 63752468 97171159 21175138 33280751 35849948 40080971 49609669 140007276 40406400 47607623 N/F N/F N/F N/F 52609907 401176789 35513076 37820576 249810644 69479802 65710276 44272074 162843267 129752224 20557172 63530538 74142608 34502484 38442473 65371661 49607575 244282765 210654268 61764863 334638850 206592342 96090219 207855294 360358413 349650261 101065618 183602449 238247523 96658727 140157244 149107190 140842829 152565411 144179506 140996532 45965519 13919451 12672287 N/F N/F N/F N/F N/F N/F 40265 methionine-13C5-15N 288170607 277111958 268583995 267750656 243562991 272320791 250618544 240500180 250777079 257927853 240973811 239958950 256867330 284687734 104459940 303072999 254993069 258407311 293056199 263484436 291566131 246245091 278361681 250887894 253284631 262792810 292565075 246994216 67030249 70040858 N/F N/F N/F N/F 282930034 247234351 338651597 255561224 258341974 245440142 142824166 135232336 136538601 140099128 164608801 126987632 157078222 139049580 135538900 122827496 135107824 194631355 163463579 136193870 145653939 126443091 142169728 144720039 149559698 133499841 165218965 141952802 92945184 243787907 163377392 170864567 163014614 166148934 156618745 162561363 55242264 23176638 20778331 N/F N/F N/F N/F N/F N/F N/F methionine 78753189 89612213 97739159 115988539 4689996 84319362 462969061 59542843 144061665 145768316 90406039 183578163 99443654 89717556 1827201 64577114 21824593 74452562 103962886 61996937 111383026 70181783 136337860 147976870 150145138 153268706 173117497 99663861 27263882 28515041 N/F N/F N/F 95420 145030321 89922033 6242124 84583975 94134799 186265032 149599123 89050711 128604533 85099391 59696364 114651113 239946363 100259835 88609598 79177244 130325766 105944270 110858251 112630235 106042337 251674202 57966210 66503051 104085953 65037023 212701945 43174617 58346680 186502522 111509586 116633769 111282936 115127507 108355262 109585974 38465483 15649327 13996545 N/F N/F N/F 178364 N/F N/F N/F methylthioadenosine 3123790 3445132 2269120 5010265 229422 2658561 2555275 4881922 3209467 2127587 2891199 6843354 2979730 961714 N/F 5194300 4560299 9763871 2437410 4253888 2125504 1470963 2164266 3206428 3360449 3352691 3910735 3501775 1255837 1415191 N/F N/F N/F N/F 6582616 2336346 276454 1930092 2906076 1644098 7130261 8605649 2999633 5215200 2847761 8911697 14025548 4006478 2961650 2762436 2662922 5493776 6168504 2994322 3963203 6235570 3941971 3105655 2970273 2634753 2718214 1309062 2313334 799929 3418085 3898449 4256543 4438647 4053446 4564144 1449357 511024 615958 N/F N/F N/F N/F N/F N/F N/F myo-inositol 110443084 96775291 115266020 112942722 8241067 79983681 87818509 78267595 69857418 57915038 95528639 107925458 96099417 69687001 12779009 127195113 135319441 128075091 111140662 114872624 96539212 108563851 114563074 147462221 145530324 145654650 147362178 94165204 33347510 34034135 N/F N/F N/F N/F 77198941 104868358 10324079 79626875 80131351 39859679 74408392 70837190 66875070 91932885 49686150 86324268 72924862 67207811 106208462 59092511 131460685 131267600 118299369 67939554 100960991 196657184 42438742 105719129 164568167 168688339 194616195 67113331 122267431 157434715 96593296 93955061 98806089 100471184 95162651 97511567 31841052 10672839 12241056 N/F N/F N/F N/F N/F N/F N/F N-acetylcysteine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N-acetylglutamate 4798345 12362139 N/F 4223216 N/F N/F 8163551 N/F N/F N/F N/F N/F N/F N/F 3108670 N/F 3454735 N/F 5562288 N/F N/F 4667946 N/F 3357477 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 1870159 N/F N/F N/F 5196326 N/F N/F N/F N/F N/F N/F N/F N/F 4931312 N/F N/F 9129588 N/F 4699254 N/F N/F N/F 6359922 N/F N/F 3333007 4257836 N/F 5018993 N/F N/F 5953716 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N-acetylglutamine 6109774 N/F 5115380 6667803 1734566 8636194 8169209 6014145 3814925 8220046 8364917 6509061 6438037 6271736 N/F 3764625 8918971 8183667 8551719 6444246 4681369 8970001 4587754 7480794 7922630 8019544 7526628 6127702 348844 N/F N/F N/F N/F 48956 8602038 6980090 2489894 7699514 6101947 7751476 10573509 9936218 11033393 10549144 9985170 9203775 6610278 9431749 9729813 10100469 12812608 15661614 10335615 9165610 10992608 8324548 11387252 6480355 8173886 9510421 14338748 8971416 4368132 12983120 6552882 6706604 7223216 7385598 7440371 8377310 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N-acetyllysine 15166782 31433429 29772078 29905731 1787569 15454957 90920634 19279930 30407070 26888027 30533834 20126134 17027389 20409254 N/F 16111378 15266193 20107240 13978074 13684875 21188082 14106988 20181527 18659500 19247999 20961473 22514050 22865854 8616114 5339984 N/F N/F N/F N/F 26723039 22756488 2076334 19319895 22865736 28819167 13812443 20893055 34198257 18061174 5680536 19091053 33672752 22914381 13781367 24196755 21361543 28624960 20201231 14538706 29167104 51894145 32405666 24204552 32012923 28840313 41536306 15027561 16169610 43639298 29154833 19688749 25107663 23426226 26616999 24904971 6415698 1861441 1446444 N/F N/F N/F N/F N/F N/F N/F N-acetylmethionine 1903210 469516 821032 801234 N/F 1667408 4676698 3738020 2434777 2319608 1714543 1376211 2296334 602609 N/F 1228512 149984 1655868 797905 869244 1633805 1072538 3934242 673569 580489 535402 755644 1751476 606506 626571 N/F N/F N/F N/F 1427388 687900 N/F 873260 403457 1466455 6076846 4444234 2031614 1731976 1448649 3141126 4827248 3255762 3675322 1625674 1681112 2265173 6464478 3544993 986726 2226060 1215345 1453602 1238983 558086 2089934 930969 1220558 235452 2291255 2039124 1963452 2010877 1868933 1716136 720130 N/F 100902 N/F N/F N/F N/F N/F N/F N/F N-acetylornithine 3157476 3479352 2451120 3017503 1175194 1235105 1273149 903453 628953 1334815 750018 571676 357255 146607 202193 2759814 2663913 1608457 475993 2035980 2364376 2886286 134442 1137500 1433034 2224487 1456920 1784174 1628824 1256417 N/F N/F N/F N/F 2191050 4522537 916492 2536253 3383955 2979602 2260546 3384509 1110023 1027279 292050 1653686 330695 3582092 3605556 1249986 2632137 3106595 2112982 1576543 1767394 2013442 832951 1728384 2406896 1092679 1853689 1479485 1684241 890679 2090257 1885012 1378087 1998180 2217072 2314315 1232659 602869 710749 N/F N/F N/F N/F N/F N/F N/F N-acetylphenylalanine 1543289 795988 785882 722733 403628 560120 807587 869769 836639 766478 2098197 689667 546480 266019 309980 885725 N/F 484555 307678 865353 224943 369675 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 388933 191869 N/F 676853 N/F N/F N/F N/F N/F 326361 N/F N/F 168984 N/F N/F 2602206 1366187 1463959 N/F 974240 N/F 628677 857673 539970 N/F N/F 443907 N/F N/F 276965 N/F 292945 N/F N/F N/F 61743 N/F N/F N/F N/F N/F N/F N/F N/F N/F NAD+ N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F NADH N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F NADP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F NADPH N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 44616 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F niacinamide 6190084 20631560 7856485 5562852 3167791 5452792 9527658 8737676 9207503 11802558 8871089 8976756 8411999 7854348 4218622 7252706 13077119 7790396 7270073 10024076 9181789 26891282 6644294 6581748 5664949 6945022 8400307 7457859 2854888 4704728 N/F N/F N/F N/F 9166478 6167487 3712446 7926512 13697901 14740855 8618321 12155489 12024167 8459717 5847480 8421812 7183607 5246099 8626690 8847075 19930800 21037696 11525641 8339509 38972574 10234450 13204506 6886360 99451013 36612834 14498957 6599927 5047848 336515240 27579599 25383530 25816300 26907913 24431927 26158538 9255047 3231499 2658668 465062 898220 435780 536703 543298 631544 N/F Nicotinic Acid N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F O-phosphoethanolamine_unc 2410658 2472442 2532107 3142740 N/F 2631109 7793750 5682555 1815967 1410577 1755871 2227214 1041102 1484701 N/F 631130 613305 1685824 1614140 1820537 2054893 2561727 2720906 1667058 1128874 840685 1319638 2181148 1026681 1264445 N/F N/F N/F N/F 1901942 2580352 N/F 2158401 108951 2124421 2107459 2035511 2027172 1806136 1459217 3871921 2869739 1116240 1096449 3068538 2651903 2650299 4291472 1702985 1039503 2527173 1940789 2269089 2721484 2052405 4202296 1814668 1912996 2552295 2426294 2256400 1965652 2665342 1485697 1957996 844262 326615 241480 N/F N/F N/F N/F N/F N/F N/F ornithine 28393279 125253261 26257152 29340673 4913045 44599414 65780908 60166972 65905668 51629383 49294267 39793120 42029150 37207270 4190344 26311948 29302814 21738208 25607078 24740423 22669297 21430354 45085782 41212001 43963954 48274602 46538035 35674885 19782864 17613200 N/F 342664 296660 115265 39764710 22775417 4254689 16176015 16254604 37881043 26121668 28249983 52580012 33675035 21852978 36201395 67966197 25020576 27023558 25106474 28363755 38539510 45768129 48885253 54331977 38246255 30814272 36302634 31954690 25851200 55892816 38014459 32166375 35651066 33469038 34833302 37611750 33921392 35901724 35109193 18314770 8208424 7347300 N/F N/F 70570 233957 48564 N/F 90964 orotate 11576208 11158407 10994457 11433304 10067570 11173144 12823718 11797521 12223397 11412391 11439172 8990618 11129694 11566345 4840854 11339814 11193450 12059043 11906680 12012134 10886669 11210114 11707084 10967901 11464030 11426636 10339264 10512514 6257233 5818656 N/F N/F N/F N/F 10375363 10217476 7655749 8796275 9492334 11081237 12099005 11504923 11102623 11351869 12068321 11155400 14351543 11735078 11348956 9882552 10913775 13246757 11980170 10642338 13681689 11092866 12117219 12852516 11965460 11642361 13099369 11830710 9658822 11387993 10364478 12057770 11641758 11029189 10758676 10117768 7223208 3585857 3857875 N/F N/F N/F N/F N/F N/F N/F p-aminobenzoate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F palmitate 17982596 18400991 26381365 36666899 N/F 15407181 56437287 10963944 54159204 73845644 35507984 40433378 23137063 33131168 377312242 28281529 16094625 16982559 10936789 13259602 6146039 28138771 28422987 68431550 69640362 68466842 66072700 34636398 14574458 16123748 N/F N/F N/F 5095539 24598124 25508049 5128600 46826167 92618209 103987696 32039523 27874769 49126468 41726267 24724495 34423250 80314159 34248321 32198671 17496622 23454349 46369540 52181510 21115197 40672450 63730018 18645811 32610245 29041881 41240662 29304943 77106122 49033032 7739767 34306393 33280675 34519606 39881450 35915499 34213440 13460602 6232576 7758713 2656400 3583040 N/F 2408398 3354534 2228871 2028135 Pantothenate 24525857 22954420 106828852 88882362 14349069 17141915 35035577 16623285 19406789 12919563 17152767 46600151 35346728 44109596 1138105 17720361 22592133 24869215 10264141 13964958 5762735 11622270 11884233 23687518 21207514 25807136 27011764 31686669 N/F N/F N/F N/F N/F N/F 28857584 106744808 12742213 74272576 96851224 54971059 41916794 45965817 28487107 33992522 8573351 44657777 62223140 19647494 36021671 37205654 43699821 62065931 61677771 59785976 63646647 87366079 25061905 21751882 45018186 87186403 62188164 36327588 20263901 151650225 50756132 53808100 51256764 55066423 58226316 42199282 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Phenylacetyl glutamine 13591255 152838363 45094329 43117662 1924600 20495850 80261541 52318129 184398438 336527667 238783391 44245472 53185321 57776532 2740288 55194247 11169304 26618256 6438121 37108724 28908756 30231558 86728705 162866327 148486782 143427108 154774031 67797035 26298386 23530228 N/F N/F N/F N/F 327077994 41930269 2346374 60265460 127417434 47962738 58686891 51929878 184250308 166294174 103671774 262704024 1009620153 101110895 59335675 219111556 54888646 275593022 413920213 300220497 178294747 96173348 31673666 48010530 156832157 155433227 264447463 55502352 61630368 N/F 171158870 161508877 157957356 168630003 179353534 178610556 62465287 15718603 19032475 N/F N/F N/F N/F N/F N/F N/F phenylalanine-13C9-15N 475212531 502377982 479069140 485086750 508996279 488821438 401064982 475903787 453437265 466699694 460028906 452255507 472277473 487520382 502920084 495140953 458111378 474561115 488283505 477117382 513182430 466192460 480267692 467015110 449812405 476916243 487294313 507684095 334690937 376852594 N/F N/F N/F N/F 489447768 483881740 573115434 471409624 464116523 445903831 283912914 273513733 264250133 260785670 294464615 263404944 270025033 265037272 255060968 255998804 264782702 312314322 317288541 257409336 198171389 255599197 271148179 266202946 266419465 261367822 275439851 287293197 286041737 473806291 295070680 305517219 302449157 316981877 299804979 303451911 222581562 54751971 51659019 N/F N/F N/F N/F N/F N/F N/F phenylalanine 437643932 426526845 695089266 744511469 57723915 1292554054 2903968835 2525528716 1715526216 1442587615 700445909 825346916 748488218 766229602 58236911 453576328 394855761 655485487 356842002 420430378 416809482 379910302 537298769 680895312 654172803 693566822 708785976 929537446 614228773 693163564 N/F N/F N/F 1233083 504264500 687727468 63163898 470459565 779052563 932181681 785425590 426885835 1668478012 564725504 264724838 611483875 916876035 504286493 404751243 1164429096 564679930 683664707 890219378 518078038 522862611 1133446511 689182449 601236272 654585282 795432860 801700426 394763648 602756996 262141623 627006861 667707135 659580269 689925552 658831456 660901774 479650311 125005363 117214467 N/F N/F N/F 1847292 N/F N/F N/F phosphocholine 128431346 74295322 97987304 102520282 8939716 203878215 175868444 218015190 76034791 58174484 94720531 69196723 100574459 101598998 10804532 31368392 67487007 97722174 98024400 102541848 103240644 143061380 147904709 55480547 54194265 59367235 59924926 107304663 26140746 25032037 N/F 177526 243918 N/F 68607404 90764533 9047589 63519112 18406970 48443145 158181101 158590455 76322471 67801083 72977131 147450707 139879128 72720819 89696446 125133104 81867472 145901470 294843906 123511761 127805984 123598064 48818839 60521712 108831074 118306879 177394355 111804097 83629402 229953594 111478161 106384448 115925143 110294844 110508632 116272584 25524834 6420335 6549054 336466 276862 246614 246056 80427 N/F N/F phosphocreatine 6709103 2504394 5099621 5272462 371375 6193543 6227142 2261945 845494 583991 1686479 10446344 5355194 5819950 294387 2429181 4275549 4764093 3031921 5887600 5471666 9717799 8886845 5869089 5543508 5955102 4888785 4470431 1471344 1226369 N/F N/F N/F N/F 5390627 3726629 377139 5474506 1901022 4411411 2113097 3110326 631149 529197 812486 1718419 1978212 3947543 5417494 6691013 7079076 14736762 7147509 3119526 5323752 7622129 2781026 3742663 8012025 6716430 10508707 8285987 4247419 45332607 6147194 6296812 6934565 6350439 5568011 5837261 1502157 415811 396868 N/F N/F N/F N/F N/F N/F N/F phosphoenolpyruvate 1611820 485580 1716181 1892425 N/F 10694550 2655174 21823912 6631836 7064276 6722736 945960 1456008 1448680 N/F 1148932 1390337 1804154 2624362 2650152 1677491 2373256 1913089 753489 694768 558273 722950 3633799 1889475 1515491 N/F N/F N/F N/F 441667 1283596 N/F 836012 N/F 207620 5172378 3923061 5139347 2085617 1713750 6873637 4056530 547529 714611 2681339 1333225 1891056 15150044 1419539 994295 1357401 1503326 2770839 2374859 1904482 1745133 1343339 1454303 2189734 2175474 2483056 2988362 2493958 2819358 2715340 1155964 136963 144140 N/F N/F N/F N/F N/F N/F N/F phosphoethanolamine 4830723 4854325 6788966 6849790 353744 6935093 15726480 11966207 4636909 3420639 4968057 5033141 3893723 3636038 323845 2360879 3146650 4915322 5619224 5012898 4863961 5888558 6425037 3580020 3811231 3550061 3250848 4661699 1592640 1341464 N/F N/F N/F N/F 4024694 5363695 277900 5131298 1867746 4046094 3980930 3810946 3704616 3663392 3173685 5941153 5741704 2698620 3247667 4356315 4554544 6011673 8144788 4288554 4030189 5167477 3541168 5292808 5741058 4946318 7224528 4142700 3332724 5870877 4924130 4880696 5145088 4139160 4420309 4477502 1227086 351849 319399 N/F N/F N/F N/F N/F N/F N/F phosphoserine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Picolinate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Pipecolate 8360932 5671470 9064936 11111712 2133847 11118594 20933913 11906092 47216129 29528967 18171081 16764132 12410860 17382344 N/F 16559444 7053228 18563906 11336699 6319582 7441580 17127419 9833546 7382949 6248952 7812021 7777276 7933366 4495362 3074066 N/F N/F N/F N/F 8003241 9271286 2654309 6814498 12967023 19494233 15415685 11670629 45050155 15071637 7776330 19714788 37146073 4564909 5226559 10286522 10769850 16473340 16126731 6466493 13678201 35519049 8076975 25830341 21008173 14188444 16674166 7757943 4949187 19422214 13950692 15025026 11861815 15771474 16563257 14996080 3361264 1391881 1604607 N/F N/F N/F N/F N/F N/F N/F proline-13C5-15N 1126644726 1193862909 1133320625 1143556981 977746423 1164349095 902622460 1184580713 1045961308 1076833425 1121421283 1092195472 1106425921 1195169955 844986108 1180028608 1081996177 1102662537 1131322918 1126679937 1107197262 1062140711 1114878029 1130817329 1117452262 1138784951 1214426668 1119824374 370137945 391942775 N/F N/F N/F 188705 1115923818 1151548048 1165634839 1056544094 1024510692 1016216282 694732669 646550867 651940728 672491407 636963315 645917682 612863643 645590845 623108219 632640644 568174347 779443136 810441749 617608616 583653221 655559451 664485565 653949605 633433998 624469375 693674525 580036036 413317254 1104774777 724798962 733490184 693833504 769634029 775998336 791428853 247974418 70419703 75532797 N/F N/F N/F 368836 79456 N/F N/F proline 142491035 348593100 74453947 83920647 12371725 48887379 2283721845 49289624 844733150 471910705 431789676 289211878 176601203 130167868 27914887 55393958 38610717 51348474 70106072 59624042 52480134 46763575 83696682 99090557 113364739 108104943 121784128 270276134 85456716 91534682 N/F N/F N/F 1437811 156804385 75890919 15408043 51192996 152710074 189602954 103488023 77667863 898766614 226791975 98027745 371829812 1400734621 59580973 56032065 65075186 58281579 142714125 335839403 149396130 251217062 161363747 119924659 201390256 208551555 180168118 393250306 51162970 63540593 209670447 215686409 223674049 209013184 227910930 239455501 246142942 67586384 19508537 20815382 N/F 269055 401175 2076328 466461 N/F N/F propionylcarnitine 26281057 37582601 23965615 26495093 N/F 7833895 77358925 5698711 140170459 128680181 96689662 24107642 12574163 11803964 1252436 10176845 5611195 9019468 9982179 9068255 8083427 9651039 15842815 22879336 21489292 20637470 20226237 28312760 12329950 12805597 N/F N/F N/F 82951 17534642 22086411 729073 26930681 25912118 30392440 28098423 17805545 138549175 48477944 23949993 57605997 266639039 24194613 18862651 18861100 22713232 36732563 42509292 32569572 22874888 62873789 12915540 19036385 24230663 27076433 45422388 14676873 16242957 20840083 38249450 38444739 37825065 40157165 40590389 40794048 17827671 8307454 9072794 N/F N/F N/F N/F N/F N/F N/F PRPP_unc N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F pseudouridine_unc 10168450 31663040 10108588 10325814 1106773 10529277 22224578 5211588 7187958 6018430 5246013 10447643 9777375 11498413 31335 10354198 9629175 7873240 7624590 9551588 7696329 8312348 9104207 12539823 13675856 12442592 12669615 7187714 4735661 4912819 98524 N/F N/F N/F 10772931 10177609 1285559 9341061 13026905 14225050 5349569 6389111 7275798 4913385 1915651 3130513 5397461 12755673 11490765 10155410 10508262 14088116 9909847 11465247 9419661 13192290 10651188 10095958 15091509 17140921 25788019 7489607 10384622 5614866 9233260 9522143 9710179 10499951 10426474 8823707 5184287 2141558 2352905 N/F N/F N/F N/F N/F N/F N/F Pyridoxal 7617894 6336697 7404849 7258626 3858735 8221633 5849529 6268816 6088224 5355159 6032309 6977543 6600564 7578567 4376260 5987439 6652918 7507965 6958153 6365503 6944886 6500720 5873245 5069485 4484968 5985386 7539309 7584449 2566734 2783773 N/F N/F N/F N/F 5718544 6919446 5328740 9203404 6483889 7061548 9365413 7588560 9761525 10125565 6689299 10651441 8781824 8061504 9989615 6442844 8075430 11968234 9990565 9631058 10602639 9306640 8068732 9548152 11018314 12913037 12086347 6461931 4475956 12202739 7882242 7450112 8930523 8066997 9263603 8164537 2807792 1279722 981888 122353 N/F N/F N/F N/F N/F N/F Pyridoxine 3522572 4998453 2852479 3532515 2358478 3718523 4818900 4600915 3125199 3416245 3544394 4155505 3600469 2943005 2900110 2979109 5494292 4285038 2838777 3806344 2300354 3574279 3171626 3466512 4400205 4479649 5077620 3575678 1303937 1537264 N/F N/F N/F N/F 6451282 5922444 2809535 14812079 9881372 3770896 25394427 29429969 13616771 11747826 3642602 11377737 7786129 10401202 9748521 14972154 7730463 12487078 5220202 8183539 6003306 13264200 23039524 14667690 17953633 28098139 19405815 3097189 2415116 4011898 11252690 10136043 11747103 13703922 12671447 12575621 4966334 1686878 1373201 N/F N/F N/F N/F N/F N/F N/F pyruvate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 59417234 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Riboflavin N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Ribose 1-phosphate_unc 44497 N/F 52474 N/F N/F 116730 178762 237074 87999 N/F 46964 46124 N/F N/F N/F N/F 34048 N/F 96603 41365 N/F 26247 43880 N/F N/F 96578 N/F 55311 N/F N/F N/F N/F N/F N/F 107478 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 39069 35760 N/F N/F 10444 52463 186321 88530 39621 84197 135782 36026 93163 115839 109014 110252 N/F N/F 74468 44467 35004 136579 68742 44975 76602 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Ribose_Ribulose 5-phosphate_3Me-Lys N/F N/F N/F N/F N/F 116729 178760 212343 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 96602 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 89033 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 186321 N/F N/F N/F 120925 N/F 93164 115836 N/F 97809 N/F N/F 74471 N/F N/F 102707 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F S-Adenosyl-L-Homocysteine 5013842 2899591 6757566 5947547 431251 1788683 2713723 1045604 4096974 4190292 3720034 2994688 2661501 1865374 484225 8576802 3847035 1074336 1976231 3832761 2349706 2675561 3572203 2460802 2796690 2818610 3160096 3679228 1049986 1374153 N/F N/F N/F N/F 3200949 5634014 326148 2036513 16046584 10094375 2419162 2286842 3125478 2476428 1266768 1953345 4117075 4641162 3048152 2576747 3338591 5693193 3473623 3049856 4121683 4509267 974910 4987405 3129357 2072372 1070249 2707724 3772355 1217092 4113441 3451450 3920518 3976465 3633204 3699816 1408956 391361 428680 N/F N/F N/F N/F N/F N/F N/F S-Adenosyl-L-methionine 19913049 4164150 12441172 11324807 1076570 19525872 15949312 16029315 33763121 30341919 32607650 13987198 20641782 9462020 420624 13725686 7783663 18018980 22196679 15409333 21404827 10458331 19752705 15581037 16659274 17811583 17566272 18443429 10690234 9757379 N/F N/F N/F N/F 9665868 9720468 570546 6178231 4693293 8200165 22328219 20757760 23572656 29840183 19863009 41514740 43398603 25984642 19358333 11234482 11464254 10240399 13769888 14571311 12898584 27535643 16203779 20762065 14223110 13195564 14728171 7018476 21058807 12342901 16262348 16030443 16971690 17045674 17900559 16696781 11150024 5410849 4390757 N/F N/F N/F N/F N/F N/F N/F S-methylcysteine_unc 3259141 1849359 954973 1049190 57664 3287033 3654094 2351499 4638616 4543280 2601302 1833953 1474340 3188060 N/F 1807702 564941 4508002 1718065 968522 1181565 2032695 2406668 1244853 1422611 1515499 1768592 614259 490072 617631 N/F N/F N/F N/F 2117262 821114 121919 1070976 1332518 1478953 1527037 2311007 4041454 2032272 1479788 2972113 4496934 1231726 1161213 866295 1535256 1943588 2863473 1120229 1217859 1956926 842720 1226678 4339521 2452559 3998781 796370 2401441 N/F 1861038 1946859 1868234 2159629 1777383 2004804 493756 89678 79108 N/F N/F N/F N/F N/F N/F N/F saccharopine_unc 11117812 5498453 14149978 13432246 1144133 13171791 13134396 7160427 6653406 6782619 7226577 6723846 9525587 6923430 N/F 16887256 9062480 7065047 6516289 10754692 7998086 9852612 10625544 5103026 5457852 5230176 5520498 8880417 4504623 4029650 N/F N/F N/F N/F 8518912 13484089 1270990 10183551 28737273 22806360 10109034 9482044 6111013 6014388 2639164 4783104 3763153 13727078 13290391 9704681 10602069 35714921 21561933 24656731 9318766 15516640 7863496 14713686 11371848 11900927 11584078 7364302 9428594 55628420 13952336 14394779 14643386 13959161 15237111 14227619 6703116 2933527 2570411 N/F N/F N/F N/F N/F N/F N/F sarcosine_unc N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 1133329 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Sedoheptulose-7-phosphate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 175698 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F serine-13C3-15N 9776772 12074171 9854424 10560474 10776900 9856370 9708956 11316313 9598937 10487265 10050660 9841185 9660726 11487347 12371841 10643142 11879326 11570595 9245511 9600201 9915266 11180700 10443200 10315751 10268147 11032714 11978724 12271941 3200585 3238442 N/F N/F N/F N/F 9580698 10255594 13704706 10894565 9491645 9370855 6459863 5704747 5578804 5609019 6648013 5776725 5243573 6165202 6216841 5379265 5437465 8576329 7246572 5746878 4750740 5139323 5974790 5920294 5899299 5835526 6594428 4927910 3231042 11728936 6715166 6531275 7169489 7182052 7136275 6932680 2254681 507441 431274 N/F N/F N/F N/F N/F N/F N/F serine 47795959 90812235 40107944 46215416 18440334 57192487 50621364 97679118 90927544 88182407 74863964 57278889 56085177 52408876 20087265 46215337 44847317 57159165 42417687 56279115 42276178 49426539 60522542 49646767 51556477 55689091 58404821 59913626 18030114 18156384 N/F N/F N/F N/F 71064677 44739560 21921920 42362610 41944945 51867819 92818996 86045105 87240232 72287097 53568789 85787696 122309780 59653965 53392804 45669710 46334352 60967466 84250113 56965419 78531961 71755614 54477667 53212794 44289921 41302804 75657815 34969087 31666146 84572474 60385847 59772801 64574142 63840803 63204469 62219507 19569453 5665234 5335621 N/F N/F N/F N/F N/F N/F N/F sorbitol 95742763 79094492 158999532 160395679 5332694 171397592 115772927 75415509 46367101 34278849 40975743 85143239 79091221 70159023 10871821 75884984 53730335 64719021 56645411 80870755 103605730 64195446 155105231 86687090 85178300 90245481 91359817 87495146 26802974 27931757 128158 N/F N/F N/F 76102335 150668404 7967567 73724315 109066462 126458480 171497482 202196679 42589671 41353839 18321765 33195676 31994758 114235301 114200026 121204557 139104225 158891657 201627322 149931508 75838552 193008222 68619072 92918222 98672881 84567976 96083165 63386558 71214013 33181011 99888757 99710886 98650257 99974756 94327948 92625085 32075344 11965227 12680762 N/F N/F N/F N/F N/F N/F N/F succinate 58737595 61758340 63067435 49968311 56293249 72739597 41843435 83962479 91718858 106955773 121088951 45491705 62506540 61305597 59185988 70675828 50507957 55209497 64902310 55229421 64143898 48746594 60022756 46436782 43879061 58462013 62618457 72282115 30196108 27980764 N/F N/F N/F N/F 61865063 58032491 52824502 55833186 48219171 47483751 64524855 52900499 91624356 117886183 71427557 60177981 56705045 59267816 37440585 47203879 44102246 60316584 145861647 41384157 97114112 37578395 36604615 53710334 48099899 34888949 42161033 49334241 48343161 68820365 60445252 63260731 66272987 65823552 60874458 61967147 30878575 11105478 12317004 N/F N/F N/F N/F N/F N/F N/F succinyl-CoA N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F taurine 16505209 22345850 16425119 16782656 1576724 24604502 53238464 38635458 53697254 39147440 38756622 23896351 24406806 24890218 2079919 24275831 18416519 22837988 13021968 22543074 25954824 20090498 27445320 17658407 18074181 17248672 18218179 25004699 9596848 10145496 N/F N/F 59140 N/F 30082746 14584484 1736290 17974305 18787914 21512223 26778299 33051089 47758322 28603281 19546276 34987203 72203816 18281252 21635443 9098691 28367047 20887181 30238326 15109262 22975083 28951019 21304300 23958613 20417873 13922652 28942941 13772342 14427811 315307246 34347743 36444553 35986377 36234195 34405865 35390792 13852155 5661265 5606046 432812 394786 425338 432598 373864 327529 N/F thiamine N/F N/F N/F N/F N/F 280943 N/F 568080 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 255260 259713 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 402188 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 188039 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F threonine-13C4-15N 125005189 121624826 122549765 115965782 113495320 122167800 87122705 132042818 121560097 124250696 140188681 121063320 121112807 137821042 202779325 133205326 114861426 151628757 153510958 121291617 123651477 119066278 128448827 131379384 120616635 118788986 117568336 123637470 35163310 38421226 N/F N/F N/F N/F 117275542 123704293 137993450 136692845 94876215 98446681 75306001 68035989 80435608 77633054 76469077 75041499 47469368 72019871 66745457 78033155 69741580 85369119 80441332 77578264 60835272 59051699 81734964 64577687 64053029 80762032 73418470 62868854 44208158 89056841 73920626 79319291 78245162 86991672 91228997 88128067 22193514 5200764 4886107 N/F N/F N/F N/F N/F N/F N/F threonine 391845700 575818035 668999584 628022860 34601136 327785323 969520745 445969737 430946098 722730405 635743602 704819445 587910566 477614225 91617183 533573522 575863176 482317834 655990852 669725814 496190327 756172073 564323301 793795846 737482009 721653626 704816858 564621454 159591211 161989598 N/F N/F N/F N/F 319867520 628981088 56185306 432008584 465520075 551790475 573724673 678024955 508381249 503006181 259608940 453467408 498872025 573409462 540719114 502376030 517965120 717692658 400780725 428053286 574919932 738797544 537127913 639185366 491169527 531638590 676621408 412012668 371133738 331939704 496490537 487702785 493168288 562673655 577675325 573681209 148199660 27219804 25488399 N/F N/F N/F N/F N/F N/F N/F thymidine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 18037 N/F N/F 20792 56098 N/F N/F 296883 34396 N/F 35688 55448 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F trans-urocanate 68012910 738380475 82760513 87215215 28303124 38852311 78076405 104768167 58958156 72542682 81807112 71535185 129591549 87798099 N/F 71514617 102819514 81083877 58128232 68284651 31521028 68998572 64982307 76387584 77462039 82874734 87566455 55514008 34298972 30928040 N/F N/F N/F N/F 362232241 69904677 44436082 72221277 59461517 168792188 91960010 79011467 77976304 76953859 81161679 91467635 70402332 76923261 70453549 147062734 69674034 169556818 135625963 348026196 349403958 70103531 151967558 68189163 72872823 83715407 296026493 34756942 20913444 208322195 127805042 131152379 125325670 139122109 130673116 133603505 64204130 21566976 21826329 N/F N/F N/F N/F N/F N/F N/F tryptophan 100439949 91592925 109773018 109002892 8471652 179613744 405161837 323260753 214924743 231363039 192107344 76114494 76111685 90630637 N/F 109156829 109201131 89470071 89557704 112524000 103605679 113270401 97372318 116899054 114881031 116141140 122184861 101418296 29103234 29241775 N/F N/F N/F N/F 103679638 99379712 11893305 76062672 146328629 108927772 97533511 85850041 190238063 168871539 102348853 184201532 221826375 70024479 84904384 93477290 112898719 184206637 153852452 112948142 141184624 166423744 90888699 109099729 103690746 81832609 154301904 70133275 64633903 64303185 111549916 115643733 113080267 117246533 112030327 115066720 36191188 12679163 12151474 N/F N/F N/F N/F N/F N/F N/F tyrosine-13C9-15N 282209612 245625541 246449568 255049680 289885647 310294089 202212861 288204674 216985443 239341232 239266151 243745588 257081248 283937958 268105727 315176042 249190838 266256081 266336311 252652905 293008615 259540625 286224219 241718677 250948645 273878544 285334792 281854412 92104073 109185917 N/F N/F N/F N/F 291596129 253878261 367305850 254580619 255580236 252306553 157210839 152798460 125261959 130343821 165471308 136734455 146898681 148733548 138701395 124290379 109373272 166741654 191812814 144425528 129399513 135943120 144571188 153451543 148087551 129115735 156890113 152169967 103023812 245317439 162667449 172151678 167252998 175427742 159719324 163540736 59233267 19658441 17243470 N/F N/F N/F N/F N/F N/F N/F tyrosine 281991099 211119962 344918605 372226122 30957687 496610735 958436783 700626261 528155406 519379535 411920537 417806396 357589351 293729571 33017915 173381659 201229503 242267705 240893266 272718912 419036204 158513740 374007920 345187583 354515008 381861024 410479805 398105088 133105668 154970028 1432934 N/F N/F 507265 306514818 353297903 37580601 172052666 355383935 379096001 337047954 236504301 511813206 536601897 236198618 497162574 763936704 268249621 277492815 275405375 283744931 355141006 541729611 458480847 373622383 563422032 261513757 332177408 344518491 287832004 423638454 247452413 250517745 170099312 339832146 362640269 353137051 368111562 339606114 340334594 126874486 43062358 38519562 N/F N/F N/F 409218 N/F N/F N/F UDP-GlcNAc N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F UDP-hexose N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F UDP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F UMP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 94282 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F uracil N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 29636781 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Ureidosuccinic_acid N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F uric acid 205349389 707073654 161127418 183318722 40770759 141399482 630341493 114819338 1243578595 906586787 930069007 163485240 133349187 163608621 17073297 84443707 84249699 93802603 111951978 77471232 138991347 159129643 102388881 244797887 244381200 244912242 251885353 279224638 126584751 127224717 N/F N/F N/F 311479 218425623 160435741 44826047 261383361 401906130 474887339 99636156 111047943 1164962891 636014763 654509239 868048424 1529216830 269281847 256926860 163806967 407814674 490928661 494525476 291892651 238298548 235737088 276355469 209735166 182498400 212950246 349050380 152863592 194900640 49495687 394025828 383860568 404048797 391643395 381024512 374357665 171452085 78769022 78495474 N/F N/F N/F 1039908 546585 310165 157589 uridine N/F N/F N/F N/F N/F N/F N/F 6882457 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 5062408 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F UTP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 323908 126654 N/F N/F N/F N/F N/F N/F N/F valine-13C5-15N 141432098 147030210 133895251 130967109 115844772 144627782 112213241 142771957 127848764 125263534 127239670 120616059 129178393 141425755 62632318 147846778 125222836 123026535 137474034 126080517 138524714 128618605 134941643 128523568 123350679 129170445 142698982 143241618 36764944 43192651 N/F N/F N/F N/F 139249491 125811707 155171875 130236121 124371604 118569374 74025961 70168649 66777901 68991314 78709754 68280625 69193030 76649807 68170184 60162945 61985521 104839143 99778748 68266062 69629471 68617966 68991412 73538761 71441993 68320934 79356446 64141488 46428095 125421969 79440448 86772491 76826207 87574785 80643775 78756559 23151722 7326161 7094927 N/F N/F N/F N/F N/F N/F N/F valine 314933650 318796092 194752013 218338133 28324992 224688019 933324455 174233444 389838909 268700800 319371497 392187004 272502419 308714555 N/F 297237612 221146105 198480449 215977446 232938851 223109977 223255551 242705435 278852250 231796369 290071141 300011544 327482006 63175449 85885750 N/F N/F N/F N/F 247954563 239687225 28346672 241497874 332016608 327919488 202803729 221274732 344186504 238942569 129084884 263659676 533139141 286740238 277136375 187526930 338890779 358649645 309219594 192222184 428113762 586944692 258392537 273417276 305734789 274431897 408742673 228859057 218059915 92788864 262901345 262507611 252890396 270735435 269384140 243368594 73062457 22987300 16699071 N/F N/F N/F N/F N/F N/F N/F xanthine 46539789 23762933 42321527 37775060 3810256 51611653 190608224 54196951 53681512 54985309 62367321 43077320 45885264 47407595 1559420 30315789 29023013 23947523 27306033 23839957 29054537 30851351 39383906 33360642 32382817 34196823 33627075 45381650 20345660 20457744 N/F N/F N/F N/F 40449331 39895583 4278933 39416375 58669566 42106392 79788493 59288220 48158318 61487373 48866858 78326170 113855888 50318691 44048152 45577447 44116699 53308161 74259077 43729774 42847084 88723707 44877160 50010924 50498898 53844380 50787797 29212014 32612851 101457954 55511477 56471868 52443276 54460519 53543279 52188883 23951503 12532985 12300297 N/F N/F N/F 96196 N/F N/F N/F xanthosine_unc 217292 75757 295006 236928 21867 323793 406808 444595 555630 526425 566001 284627 402853 443893 N/F 56905 111801 60934 35433 108552 150769 291432 195471 293853 328286 312296 312474 236173 112495 119367 N/F N/F N/F N/F 222064 248427 7114 135729 450847 299328 748532 646269 432677 635921 493890 1284568 2527311 366690 318770 238660 188801 361547 767194 310851 227823 533333 218376 329902 379757 371527 403350 125395 149634 422499 528361 407192 455161 456055 447251 363506 200236 63609 68592 N/F N/F N/F N/F N/F N/F N/F MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name 1-methylnicotinamide "2,3-BPG_unc" 2-aminobutyric_acid 2-hydroxybutyric_acid 2-hydroxyglutarate 2-oxoadipate_unc 2-oxobutyric_acid_unc 3-hydroxybutyric_acid 3-hydroxyisobutyric_acid 3-methyl-2-oxopentanoic_acid 3-phosphoglycerate 3-ureidopropionate 5-Hydroxyindole-3-Acetate_unc 6-phosphogluconate acetoacetate Acetyl CoA acetylalanine acetylaspartate acetylcarnitine acetylglutamate acetylglycine acetylserine adenine adenosine_unc ADP-ribose_unc ADP AICAR alanine-13C3-15N alanine allantoin alpha-keto-isovalerate Alpha-Ketoglutarate Alpha-Lipoic Acid_unc amidoadipate AMP anserine_unc arginine-13C6-15N4 arginine argininosuccinate_unc ascorbate_unc asparagine aspartate-13C6-15N4 aspartate asymmetric dimethylarginine (ADMA) ATP beta-alanine betaine biotin Butyrylcarnitine C5 Carnitines cAMP_unc carnitine carnosine CDP-choline CDP choline cis-aconitate citrate citrulline CMP CoA-Ellmans_unc Coenzyme A creatine creatinine CTP cystathionine cysteic_acid cysteine-glycine cysteine_13C3_15N1 cysteine_unc cystine cytidine cytosine_unc dATP dCTP dCytidine dihydroorotate_unc dihydroxyacetone_phosphate dimethylglicine dTMP dTTP dUMP erythrose_4-phosphate_unc F6P_G1P_unc FAD folic_acid formyl_methionine "Fructose 1,6-bisphosphate" fructose fumarate gamma-aminobutyric_acid gamma-glutamyl-alanine GAR GDP Glucose 6-phosphate glucose "glutamate-13C5,15N" glutamate glutamine glyceraldehyde_3-phosphate glycerate Glycerol 3-Phosphate Glycerophosphocholine glycine glycine_13C2-15N GMP GSH-13C2_15N GSH GSH_13C2-15N-Ellmans GSH_Ellmans GSSG GTP guanidinoacetate guanine guanosine histidine-13C6-15N3 histidine homocitrulline homocysteine hydroxyproline_gammaALA hypotaurine hypoxanthine IMP indolelactate inosine isocitrate_unc Isoleucine-13C6-15N isoleucine Itaconic Acid Kynurenic Acid kynurenine lactic_acid leucine-13C6-15N leucine lysine-13C6-15N2 lysine malate malonyl-CoA mannose Methionine sulfoxide methionine-13C5-15N methionine methylthioadenosine myo-inositol N-acetylcysteine N-acetylglutamate N-acetylglutamine N-acetyllysine N-acetylmethionine N-acetylornithine N-acetylphenylalanine NAD+ NADH NADP NADPH niacinamide Nicotinic Acid O-phosphoethanolamine_unc ornithine orotate p-aminobenzoate palmitate Pantothenate Phenylacetyl glutamine phenylalanine-13C9-15N phenylalanine phosphocholine phosphocreatine phosphoenolpyruvate phosphoethanolamine phosphoserine Picolinate Pipecolate proline-13C5-15N proline propionylcarnitine PRPP_unc pseudouridine_unc Pyridoxal Pyridoxine pyruvate Riboflavin Ribose 1-phosphate_unc Ribose_Ribulose 5-phosphate_3Me-Lys S-Adenosyl-L-Homocysteine S-Adenosyl-L-methionine S-methylcysteine_unc saccharopine_unc sarcosine_unc Sedoheptulose-7-phosphate serine-13C3-15N serine sorbitol succinate succinyl-CoA taurine thiamine threonine-13C4-15N threonine thymidine trans-urocanate tryptophan tyrosine-13C9-15N tyrosine UDP-GlcNAc UDP-hexose UDP UMP uracil Ureidosuccinic_acid uric acid uridine UTP valine-13C5-15N valine xanthine xanthosine_unc METABOLITES_END #END