#METABOLOMICS WORKBENCH boryana_ptrva_20210914_140612_mwtab.txt DATATRACK_ID:2838 STUDY_ID:ST001976 ANALYSIS_ID:AN003224 PROJECT_ID:000000 VERSION 1 CREATED_ON October 4, 2021, 7:12 am #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 III) 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 (III) ST:STUDY_SUMMARY Anti-oxidative metabolism measurement in mouse CSF by quantitative LC/MS method ST:STUDY_SUMMARY of mouse CSF at 24H of MTX treatment, for either control GFP or ST:STUDY_SUMMARY SOD3-overexpressing ChP mice. 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 Mus musculus SU:TAXONOMY_ID 10090 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 - blank end Factor:- RAW_FILE_NAME=20200318_QEF1_HILIC_AJ_blank_end; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - blank start 1 Factor:- RAW_FILE_NAME=20200318_QEF1_HILIC_AJ_blank_start1; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - blank start 2 Factor:- RAW_FILE_NAME=20200318_QEF1_HILIC_AJ_blank_start2; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - blank start 3 Factor:- RAW_FILE_NAME=20200318_QEF1_HILIC_AJ_blank_start3; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - blank start 4 Factor:- RAW_FILE_NAME=20200318_QEF1_HILIC_AJ_blank_start4; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - mouse CSF 1 Factor:24h GFP 1 RAW_FILE_NAME=20200318_QEF1_HILIC_AJ85; other="3ul (extracted in final 30ul), split in 2, add 200 FE with Ellmans"; other="folate extraction buffer plus Ellmans, isoAAs, GSH, aminopterin"; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - mouse CSF 2 Factor:24h GFP 2 RAW_FILE_NAME=20200318_QEF1_HILIC_AJ86; other="3ul (extracted in final 30ul), split in 2, add 200 FE with Ellmans"; other="folate extraction buffer plus Ellmans, isoAAs, GSH, aminopterin"; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - mouse CSF 3 Factor:24h GFP 3 RAW_FILE_NAME=20200318_QEF1_HILIC_AJ87; other="3ul (extracted in final 30ul), split in 2, add 200 FE with Ellmans"; other="folate extraction buffer plus Ellmans, isoAAs, GSH, aminopterin"; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - mouse CSF 4 Factor:24h GFP 4 RAW_FILE_NAME=20200318_QEF1_HILIC_AJ88; other="3ul (extracted in final 30ul), split in 2, add 200 FE with Ellmans"; other="folate extraction buffer plus Ellmans, isoAAs, GSH, aminopterin"; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - mouse CSF 5 Factor:24h GFP 5 RAW_FILE_NAME=20200318_QEF1_HILIC_AJ89; other="3ul (extracted in final 30ul), split in 2, add 200 FE with Ellmans"; other="folate extraction buffer plus Ellmans, isoAAs, GSH, aminopterin"; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - mouse CSF 6 Factor:24h GFP 6 RAW_FILE_NAME=20200318_QEF1_HILIC_AJ90; other="3ul (extracted in final 30ul), split in 2, add 200 FE with Ellmans"; other="folate extraction buffer plus Ellmans, isoAAs, GSH, aminopterin"; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - mouse CSF 7 Factor:24h GFP 7 RAW_FILE_NAME=20200318_QEF1_HILIC_AJ91; other="3ul (extracted in final 30ul), split in 2, add 200 FE with Ellmans"; other="folate extraction buffer plus Ellmans, isoAAs, GSH, aminopterin"; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - mouse CSF 8 Factor:24h MTX 1 RAW_FILE_NAME=20200318_QEF1_HILIC_AJ92; other="3ul (extracted in final 30ul), split in 2, add 200 FE with Ellmans"; other="folate extraction buffer plus Ellmans, isoAAs, GSH, aminopterin"; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - mouse CSF 9 Factor:24h MTX 2 RAW_FILE_NAME=20200318_QEF1_HILIC_AJ93; other="3ul (extracted in final 30ul), split in 2, add 200 FE with Ellmans"; other="folate extraction buffer plus Ellmans, isoAAs, GSH, aminopterin"; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - mouse CSF 10 Factor:24h MTX 3 RAW_FILE_NAME=20200318_QEF1_HILIC_AJ94; other="3ul (extracted in final 30ul), split in 2, add 200 FE with Ellmans"; other="folate extraction buffer plus Ellmans, isoAAs, GSH, aminopterin"; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - mouse CSF 11 Factor:24h MTX 4 RAW_FILE_NAME=20200318_QEF1_HILIC_AJ95; other="3ul (extracted in final 30ul), split in 2, add 200 FE with Ellmans"; other="folate extraction buffer plus Ellmans, isoAAs, GSH, aminopterin"; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - mouse CSF 12 Factor:24h MTX 5 RAW_FILE_NAME=20200318_QEF1_HILIC_AJ96; other="3ul (extracted in final 30ul), split in 2, add 200 FE with Ellmans"; other="folate extraction buffer plus Ellmans, isoAAs, GSH, aminopterin"; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - mouse CSF 13 Factor:24h MTX 6 RAW_FILE_NAME=20200318_QEF1_HILIC_AJ97; other="3ul (extracted in final 30ul), split in 2, add 200 FE with Ellmans"; other="folate extraction buffer plus Ellmans, isoAAs, GSH, aminopterin"; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - mouse CSF 14 Factor:24h MTX 7 RAW_FILE_NAME=20200318_QEF1_HILIC_AJ98; other="3ul (extracted in final 30ul), split in 2, add 200 FE with Ellmans"; other="folate extraction buffer plus Ellmans, isoAAs, GSH, aminopterin"; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - mouse CSF 15 Factor:24h SOD3-1 RAW_FILE_NAME=20200318_QEF1_HILIC_AJ99; other="3ul (extracted in final 30ul), split in 2, add 200 FE with Ellmans"; other="folate extraction buffer plus Ellmans, isoAAs, GSH, aminopterin"; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - mouse CSF 16 Factor:24h SOD3-2 RAW_FILE_NAME=20200318_QEF1_HILIC_AJ100; other="3ul (extracted in final 30ul), split in 2, add 200 FE with Ellmans"; other="folate extraction buffer plus Ellmans, isoAAs, GSH, aminopterin"; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - mouse CSF 17 Factor:24h SOD3-3 RAW_FILE_NAME=20200318_QEF1_HILIC_AJ101; other="3ul (extracted in final 30ul), split in 2, add 200 FE with Ellmans"; other="folate extraction buffer plus Ellmans, isoAAs, GSH, aminopterin"; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - mouse CSF 18 Factor:24h SOD3-4 RAW_FILE_NAME=20200318_QEF1_HILIC_AJ102; other="3ul (extracted in final 30ul), split in 2, add 200 FE with Ellmans"; other="folate extraction buffer plus Ellmans, isoAAs, GSH, aminopterin"; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - mouse CSF 19 Factor:24h SOD3-5 RAW_FILE_NAME=20200318_QEF1_HILIC_AJ103; other="3ul (extracted in final 30ul), split in 2, add 200 FE with Ellmans"; other="folate extraction buffer plus Ellmans, isoAAs, GSH, aminopterin"; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - mouse CSF 20 Factor:24h SOD3+MTX-1 RAW_FILE_NAME=20200318_QEF1_HILIC_AJ104; other="3ul (extracted in final 30ul), split in 2, add 200 FE with Ellmans"; other="folate extraction buffer plus Ellmans, isoAAs, GSH, aminopterin"; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - mouse CSF 21 Factor:24h SOD3+MTX-2 RAW_FILE_NAME=20200318_QEF1_HILIC_AJ105; other="3ul (extracted in final 30ul), split in 2, add 200 FE with Ellmans"; other="folate extraction buffer plus Ellmans, isoAAs, GSH, aminopterin"; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - mouse CSF 22 Factor:24h SOD3+MTX-3 RAW_FILE_NAME=20200318_QEF1_HILIC_AJ106; other="3ul (extracted in final 30ul), split in 2, add 200 FE with Ellmans"; other="folate extraction buffer plus Ellmans, isoAAs, GSH, aminopterin"; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - mouse CSF 23 Factor:24h SOD3+MTX-4 RAW_FILE_NAME=20200318_QEF1_HILIC_AJ107; other="3ul (extracted in final 30ul), split in 2, add 200 FE with Ellmans"; other="folate extraction buffer plus Ellmans, isoAAs, GSH, aminopterin"; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - mouse CSF 24 Factor:24h SOD3+MTX-5 RAW_FILE_NAME=20200318_QEF1_HILIC_AJ108; other="3ul (extracted in final 30ul), split in 2, add 200 FE with Ellmans"; other="folate extraction buffer plus Ellmans, isoAAs, GSH, aminopterin"; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - mouse CSF 25 Factor:24h SOD3+MTX-6 RAW_FILE_NAME=20200318_QEF1_HILIC_AJ109; other="3ul (extracted in final 30ul), split in 2, add 200 FE with Ellmans"; other="folate extraction buffer plus Ellmans, isoAAs, GSH, aminopterin"; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - mouse CSF 26 Factor:24h SOD3+MTX-7 RAW_FILE_NAME=20200318_QEF1_HILIC_AJ110; other="3ul (extracted in final 30ul), split in 2, add 200 FE with Ellmans"; other="folate extraction buffer plus Ellmans, isoAAs, GSH, aminopterin"; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - pooled sample QCa Factor:- RAW_FILE_NAME=20200318_QEF1_HILIC_AJ111_pool1x_a; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - pooled sample QCb Factor:- RAW_FILE_NAME=20200318_QEF1_HILIC_AJ111_pool1x_b; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - pooled sample QCc Factor:- RAW_FILE_NAME=20200318_QEF1_HILIC_AJ111_pool1x_c; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - pooled sample QCd Factor:- RAW_FILE_NAME=20200318_QEF1_HILIC_AJ111_pool1x_d; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - pooled sample QCf Factor:- RAW_FILE_NAME=20200318_QEF1_HILIC_AJ111_pool1x_f; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - pooled sample QCg Factor:- RAW_FILE_NAME=20200318_QEF1_HILIC_AJ111_pool1x_g; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - pooled sample QC 1/3 dilution Factor:- RAW_FILE_NAME=20200318_QEF1_HILIC_AJ112_pool03x; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - pooled sample QC 1/10 dilution a Factor:- RAW_FILE_NAME=20200318_QEF1_HILIC_AJ113_pool01x_a; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - pooled sample QC 1/10 dilution b Factor:- RAW_FILE_NAME=20200318_QEF1_HILIC_AJ113_pool01x_b; other=-; other=-; chromatography=HILIC #COLLECTION CO:COLLECTION_SUMMARY All animal studies were performed under the protocol approved by the CO:COLLECTION_SUMMARY Institutional Animal Care and Use Committee (IACUC) of Boston Children’s CO:COLLECTION_SUMMARY Hospital (BCH). CD-1 mice (timed pregnant and 6-8 weeks) and Sprague Dawley rats CO:COLLECTION_SUMMARY (6-8 weeks) were purchased (Charles River Laboratories). Male and female animals CO:COLLECTION_SUMMARY were used equally for all studies. All animals were housed in a 12h light-dark CO:COLLECTION_SUMMARY cycle with ad libitum access to food and water. CSF was collected from the CO:COLLECTION_SUMMARY cisterna magna and centrifuged at 10,000g for 10 min. at 4 °C to remove any CO:COLLECTION_SUMMARY tissue debris (38). CSF samples were flash frozen and stored at −80°C until CO:COLLECTION_SUMMARY use. CO:SAMPLE_TYPE CSF #TREATMENT TR:TREATMENT_SUMMARY Control AAV-GFP, MTX, AAV-SOD3 + buffers from Study Design. The pAAV-IRES-hrGFP TR:TREATMENT_SUMMARY vector was purchased from Agilent Technologies (240075) and pcDNA3.1-myc HisA TR:TREATMENT_SUMMARY (-)/ human SOD3 (myc-his tag at C-terminal) (36). Virus production and TR:TREATMENT_SUMMARY purification were performed by the Viral Core at BCH according to standard TR:TREATMENT_SUMMARY procedures (37). CD-1 mice (6-8 weeks) or Sprague Dawley rats (8 weeks) were TR:TREATMENT_SUMMARY given a single intravenous injection of 75 mg/kg MTX (Fisher Scientific, TR:TREATMENT_SUMMARY AAJ66364MD) dissolved in 0.9 % NaCl (Mountainside Medical, 0409-4888-10). MTX TR:TREATMENT_SUMMARY was freshly prepared for each experiment. MTX in mouse serum or CSF was assessed TR:TREATMENT_SUMMARY by MTX ELISA according to the manufacturer's instructions (Enzo Life Sciences, TR:TREATMENT_SUMMARY 142-0001). #SAMPLEPREP SP:SAMPLEPREP_SUMMARY CSF was collected from the cisterna magna and centrifuged at 10,000g for 10 min. SP:SAMPLEPREP_SUMMARY at 4 °C to remove any tissue debris (38). CSF samples were flash frozen and SP:SAMPLEPREP_SUMMARY stored at −80°C until use. For characterization by mass spectrometry, CSF was SP:SAMPLEPREP_SUMMARY acquired 4h, 24h, and 48h following a single 75 mg/kg MTX injection from 6-8 SP:SAMPLEPREP_SUMMARY mice and flash frozen for further analysis. Per condition, 3 μl of CSF were SP:SAMPLEPREP_SUMMARY extracted by brief sonication in 240 μl 100% methanol, supplemented with SP:SAMPLEPREP_SUMMARY isotopically labeled internal standards (17 amino acids and reduced glutathione, SP:SAMPLEPREP_SUMMARY Cambridge Isotope Laboratories, MSK-A2-1.2 and CNLM-6245-10) and 60 μl 20 mM SP:SAMPLEPREP_SUMMARY Ellman’s reagent in water (Sigma-Aldrich, D8130). After centrifugation for SP:SAMPLEPREP_SUMMARY 10min. at maximum speed on a benchtop centrifuge (Eppendorf) the cleared SP:SAMPLEPREP_SUMMARY supernatant was dried using a nitrogen dryer and reconstituted in 30 µl water SP:SAMPLEPREP_SUMMARY by brief sonication. Extracted metabolites were spun again and cleared SP:SAMPLEPREP_SUMMARY supernatant was transferred in LC-MS microvials. A small amount of each sample SP:SAMPLEPREP_SUMMARY was pooled and serially diluted 3 and 10-fold to be used as quality controls SP:SAMPLEPREP_SUMMARY throughout the batch run. Two microliters (equivalent to 0.2 ul of CSF) of SP:SAMPLEPREP_SUMMARY reconstituted sample were injected into a ZIC-pHILIC 150 × 2.1 mm SP:SAMPLEPREP_SUMMARY (5 µm particle size) column (EMD Millipore) operated on a Dionex UltiMate SP:SAMPLEPREP_SUMMARY 3000 UPLC system (Thermo Fisher Scientific). Chromatographic separation was SP:SAMPLEPREP_SUMMARY achieved using the following conditions: buffer A was acetonitrile; buffer B was SP:SAMPLEPREP_SUMMARY 20 mM ammonium carbonate, 0.1% ammonium hydroxide. Gradient conditions were: SP:SAMPLEPREP_SUMMARY linear gradient from 20% to 80% B; 20–20.5 min: from 80% to 20% B; 20.5–28 SP:SAMPLEPREP_SUMMARY min: hold at 20% B. The column oven and autosampler tray were held at 25 °C SP:SAMPLEPREP_SUMMARY and 4 °C, respectively. The MS data acquisition was on a QExactive benchtop SP:SAMPLEPREP_SUMMARY orbitrap mass spectrometer equipped with an Ion Max source and a HESI II probe SP:SAMPLEPREP_SUMMARY and was performed in a range of m/z= 70–1000, with the resolution set at SP:SAMPLEPREP_SUMMARY 70,000, the AGC target at 1x106, and the maximum injection time (Max IT) at 20 SP:SAMPLEPREP_SUMMARY msec. For tSIM scans, the resolution was set at 70,000, the AGC target was SP:SAMPLEPREP_SUMMARY 1x105, and the max IT was 100 msec. Relative quantitation of polar metabolites SP:SAMPLEPREP_SUMMARY was performed with TraceFinder 4.1 (Thermo Fisher Scientific) using a 5 ppm mass SP:SAMPLEPREP_SUMMARY tolerance and referencing an in-house library of chemical standards. Pooled SP:SAMPLEPREP_SUMMARY samples and fractional dilutions were prepared as quality controls and only SP:SAMPLEPREP_SUMMARY those metabolites were taken for further analysis, for which the correlation SP:SAMPLEPREP_SUMMARY between the dilution factor and the peak area was >0.95 (high confidence SP:SAMPLEPREP_SUMMARY metabolites). Normalization for biological material amounts was based on the SP:SAMPLEPREP_SUMMARY total integrated peak area values of high-confidence metabolites within an SP:SAMPLEPREP_SUMMARY experimental batch after normalizing to the averaged factor from all SP:SAMPLEPREP_SUMMARY mean-centered chromatographic peak areas of isotopically labeled amino acids SP:SAMPLEPREP_SUMMARY internal standards (Cambridge Isotope Laboratories). The data were Log SP:SAMPLEPREP_SUMMARY transformed and Pareto scaled for MetaboAnalyst-based statistical or pathway SP:SAMPLEPREP_SUMMARY analysis (41). We profiled 200 metabolites, 85 of which were detected in CSF and SP:SAMPLEPREP_SUMMARY passed our quality control 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 blank end blank start 1 blank start 2 blank start 3 blank start 4 mouse CSF 1 mouse CSF 2 mouse CSF 3 mouse CSF 4 mouse CSF 5 mouse CSF 6 mouse CSF 7 mouse CSF 8 mouse CSF 9 mouse CSF 10 mouse CSF 11 mouse CSF 12 mouse CSF 13 mouse CSF 14 mouse CSF 15 mouse CSF 16 mouse CSF 17 mouse CSF 18 mouse CSF 19 mouse CSF 20 mouse CSF 21 mouse CSF 22 mouse CSF 23 mouse CSF 24 mouse CSF 25 mouse CSF 26 pooled sample QCa pooled sample QCb pooled sample QCc pooled sample QCd pooled sample QCf pooled sample QCg pooled sample QC 1/3 dilution pooled sample QC 1/10 dilution a pooled sample QC 1/10 dilution b Factors Factor:- Factor:- Factor:- Factor:- Factor:- Factor:24h GFP 1 Factor:24h GFP 2 Factor:24h GFP 3 Factor:24h GFP 4 Factor:24h GFP 5 Factor:24h GFP 6 Factor:24h GFP 7 Factor:24h MTX 1 Factor:24h MTX 2 Factor:24h MTX 3 Factor:24h MTX 4 Factor:24h MTX 5 Factor:24h MTX 6 Factor:24h MTX 7 Factor:24h SOD3-1 Factor:24h SOD3-2 Factor:24h SOD3-3 Factor:24h SOD3-4 Factor:24h SOD3-5 Factor:24h SOD3+MTX-1 Factor:24h SOD3+MTX-2 Factor:24h SOD3+MTX-3 Factor:24h SOD3+MTX-4 Factor:24h SOD3+MTX-5 Factor:24h SOD3+MTX-6 Factor:24h SOD3+MTX-7 Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- alanine-13C3-15N N/F N/F N/F N/F N/F 9783619 9046475 10223759 9586052 7829921 9532591 8503142 7310175 9521755 8867076 8051518 9637270 9822090 8251489 10040831 9396779 9643947 7976758 10786568 9296153 10975469 8023945 9157436 9472410 8624201 7648966 8548847 8001061 9348446 9187112 9203028 8933247 2823967 1602756 440376 "Fructose 1,6-bisphosphate" N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F asymmetric dimethylarginine (ADMA) N/F N/F N/F N/F N/F 4164271 3680048 3995432 2819139 2723178 3808519 4242885 2797278 3690126 3138435 3022451 3339476 3875480 3717767 4939915 3111483 3087846 3209430 5007387 5195125 3795214 3523917 4509290 3607221 3355336 3854571 3975127 3573745 4040244 4285727 3965224 3524921 1997143 2147458 705182 Picolinate N/F 1805005 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 3-hydroxybutyrate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 10916496 N/F N/F N/F N/F 51012911 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 3994681 N/F 4410535 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 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 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 AMP N/F N/F N/F N/F N/F 486485 209827 1807237 888984 21009 236506 43702 286687 591494 846969 23403 592137 973008 963758 22799 N/F 251158 167015 418207 135596 N/F 49820 235820 113773 79725 429831 463340 322915 473874 575006 583600 241624 94086 143036 31571 serine N/F N/F N/F N/F N/F 24736567 25769934 31627097 25617430 25517825 30936191 25288826 21068968 27543419 24148008 22002681 26712950 26604960 23087439 30948609 26048438 26508583 23037094 30156187 28898095 29106494 28287141 29322217 25239912 29333229 22636333 27030781 25178926 27594551 27975787 27930602 27148539 9296173 5993577 1683604 2-oxoadipate_unc N/F N/F N/F N/F N/F 2443345 2998775 3378202 2715265 1875790 1979639 2026496 3100210 2523356 2213023 1605497 2066988 2911226 2110531 3805096 2388157 2060254 2254873 1627859 1917530 2184033 2540585 1791778 1910872 1973548 2016541 2132390 1879303 2403364 2392757 2306433 3046003 1148869 345262 272981 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 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 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 methionine-13C5-15N N/F N/F N/F N/F N/F 154406858 154534068 89793469 138594655 161669902 96070202 84675298 135022083 102716346 76614938 91377803 94743555 93369013 148941781 96189539 147404739 167882220 81077976 179182874 115195508 106089286 92175236 89176745 137730928 177324484 87550772 107492094 108870167 108707438 103339097 104133398 99983250 44302409 39483548 11184315 carnosine N/F N/F N/F N/F N/F 27667226 36946271 45311523 38362621 38935176 21836122 26426947 25046292 27044842 17279245 27549289 21898526 27730977 34917265 13637494 34614070 35548896 25293411 48791458 30255862 12435035 28567109 35408867 25938328 38375357 31570728 28829014 29409187 29868696 27318843 30522680 29915429 16951101 13990973 4429874 F6P_G1P_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 346199 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 3-phosphoglycerate N/F N/F N/F N/F N/F 1853791 1803719 4555790 2742518 1255403 1320421 1219100 941071 2490513 1494203 1391165 2139798 3961288 1902364 508291 1280139 1731067 1283385 2322680 1753691 398145 1776066 1861427 897133 1813660 2176548 1500547 1788454 2022977 1866780 1695062 1874478 532047 354837 N/F saccharopine_unc N/F N/F N/F N/F N/F 27939508 30497520 18084216 28470116 16840532 26562516 18199049 24050996 27323230 22100274 17549334 24180899 21691795 32667480 6617853 16495565 8656531 6462231 11337287 14657839 4839753 16694892 11558455 17324415 20588152 14638268 17966739 16819855 18017109 17965196 19306538 18380600 11622489 9186057 3279777 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 ALA_114 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 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 folate_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 """arginine-13C6,15N4""" N/F N/F N/F N/F N/F 280338307 295524909 299647807 307359245 281665672 292257821 255187292 274468732 297925079 291195591 268979384 299526480 275438929 278085876 327049845 302690484 302190265 281762450 279347371 279444661 326072683 298233955 297336838 288533773 313949091 263606894 281379266 285131440 294516113 304753656 291050184 297777295 167740892 151593895 64788665 pseudouridine_unc N/F N/F N/F N/F N/F 6756084 5591307 3456247 2914000 4455589 2733118 2470611 3759672 3372779 3866909 1926270 4273195 3914305 5777303 1856390 2608292 2952369 2293911 3806217 2983898 1311470 3243751 3297394 2719486 4755625 2515602 3311214 2349113 3071021 3003678 2563369 2783324 1975321 1649352 931769 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 orotate N/F N/F N/F N/F N/F 7719966 7153888 7475263 7453306 6122863 7483621 6862379 6027209 7094172 7719274 7181409 6584501 8534471 5822375 8625386 6944201 6979242 7537441 8008022 7585103 9311875 7703846 7337786 7822374 7674598 7256989 8077244 6656075 6733186 8103485 7014296 6407817 4540662 3619722 2828750 Isoleucine-13C6-15N N/F N/F N/F N/F N/F 140427071 132384445 96354459 141152678 141125251 112964496 90200735 127110408 119400004 90317280 100012307 110727107 113092471 129541031 109884749 139507844 152438765 95801892 155930472 117169500 141110978 104184014 107681515 134199229 147244097 94468561 115208102 121168066 117098908 120308257 108167389 101747691 40225612 34197357 8804315 homocysteine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 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 N/F N/F N/F N/F N/F 1185419 2080661 5781939 1258906 1220969 1769410 3149333 1189344 2401389 1549817 634909 1275688 4258601 3810111 1815720 1080132 1834486 705021 4063604 2314667 108934 810432 1469925 639769 807952 5687984 2516336 2385354 2409877 1795792 1924685 1696319 669625 N/F N/F dTTP N/F N/F N/F N/F N/F 2789305 3023084 1007207 1796307 2996257 1690411 747180 2975585 849426 787871 809377 1353204 875374 2670100 822514 2078708 2438549 1221010 2417439 1061085 737351 1301479 1271647 3207355 3074577 475770 1517488 1420915 1433479 1567632 1196381 1940363 3876972 4006401 4442007 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 1-methylnicotinamide_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 Ribose 1-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 ascorbate N/F N/F N/F N/F N/F 219852594 200897329 316099805 247046669 276753520 296172455 324777363 242073894 255626784 345208322 370788341 254799157 250832015 260195711 372885094 247520324 289531837 397570243 347789382 182862349 372349250 172080698 486989435 177289945 201721970 305449894 109518304 277006191 293437088 264172089 267271739 236460045 183058187 78140941 59857406 sarcosine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 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 N/F N/F N/F N/F 11991 316914 304800 212539 353486 70772 138424 N/F 140348 130341 N/F 109760 N/F 231133 476485 42878 287720 322533 N/F 530255 322738 33776 159224 N/F 454641 476288 N/F 181753 N/F N/F N/F 100210 N/F N/F N/F N/F 2-oxobutyric_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 GSH_13C2-15N-Ellmans N/F N/F N/F N/F N/F 762409 969744 1076605 1064044 815532 994125 1147080 615139 1224756 952443 825610 1038264 1145146 929701 1181700 1100123 957737 904343 1018207 1126381 1254614 927081 1050549 945851 934082 976888 1020066 966350 911876 876389 911987 1034170 237416 207567 28677 lactatic_acid N/F N/F N/F N/F N/F 799544218 1031562201 1532231637 810486173 745554326 1065176603 1439352377 703474903 1360223700 991525091 1062462342 1108177612 1454496281 1162407312 474948421 867875038 1111436355 1079937375 1543728240 1342691967 561561572 965798010 1289227319 879037896 864048379 1484562957 1104322445 1054895991 1022021194 627798241 1061758277 958576851 433109983 318172425 125136030 cystathionine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 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 N/F N/F N/F N/F N/F 1908383787 2039900246 2234839081 2205463676 1799385675 2173297447 2196981335 1640764351 2266749013 2183224595 2019591941 2104367703 2360703066 1831937740 2363873934 2191729399 2149150731 1985701906 2151492791 2296795683 2403044961 2127973594 2208125265 1926773988 2036126856 2101628764 2096798105 2037996450 2046979411 2123591557 2053527296 1937450932 798929418 537981381 219046547 tyrosine N/F N/F N/F N/F N/F 53530238 47082150 43307602 48242950 39485932 34891893 25581241 24895592 37176982 30243536 30871685 31343332 25970844 51155086 48327181 57826147 47608674 28616972 72323159 43488508 34310403 36589226 32957625 39086375 50806872 29805867 39817467 37360942 38221086 36781223 36496999 35408873 15433349 13900940 3877288 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 adenine N/F N/F N/F N/F N/F 18442545 21593400 31715583 13380885 14084958 16096600 30639244 15001978 31814510 8752645 19424822 19531341 33986180 29601143 N/F 18723208 24829907 17224027 41472886 23990537 N/F 14603327 18664448 14408393 14636760 47040945 20803883 17183083 17616684 16538238 20227660 22728575 15640795 13143415 3836907 glycine N/F N/F N/F N/F N/F 5163044 5139655 5893627 5117162 4409548 5997883 7889297 4262780 5512583 5509826 4466579 5519175 12796906 4479789 5908948 5229879 5198369 5224568 6130985 6029742 6084054 5158772 5817683 5554130 5078001 5054130 5657644 5328331 6126095 5863260 5981558 5582433 2160980 1269159 401315 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 cytosine_unc N/F N/F N/F N/F N/F 5294613 5683835 5840003 4737901 4375153 3889272 4909137 3612347 5785807 3285788 4128651 5638667 5161578 4777336 5263004 5356667 5500821 4202596 5767792 5761207 3594312 5709889 5362805 4462177 5240712 4801653 5099330 4853618 4712544 4926042 5538679 4633965 2359807 1977522 718929 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 Nicotinic Acid N/F 1704668 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 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-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-acetylphenylalanine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 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 N/F N/F N/F N/F N/F 1015936 1434724 1883346 1092835 1481138 1697867 1697889 1158189 2721938 782181 1835469 1955089 2152781 1493148 1460007 804678 1531880 1594753 2123264 1009504 1343810 1314610 2281626 1050100 1211087 2103750 1646072 1302994 1780742 1563117 1658730 1358167 270861 N/F N/F xanthine N/F N/F N/F N/F N/F 12666056 15346179 25876960 10118968 9922361 15126520 25659593 9907573 23241640 9837291 15671440 15513935 22462528 25347848 2556567 5987375 14603606 13299112 17725938 20945243 2983041 7552746 10122854 8284492 7901836 20756215 14636196 14233304 14086191 14532563 13757838 12868027 9293665 7848313 4648733 valine N/F N/F N/F N/F N/F 13486127 15855773 14598628 19648523 21848656 18298932 22880755 12782417 17440639 18247431 15921986 11456965 16256360 14575056 12653218 22084560 16225180 11638824 30070915 12435643 18652073 20853615 21052556 15803768 19752455 26215292 16783465 19880090 19088445 18134493 17536020 18496228 N/F N/F N/F dihydrofolate_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 anserine_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 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 histidine N/F N/F N/F N/F N/F 178039668 180568240 184612947 166518029 241066439 199089055 138555126 153930967 158910510 137611053 126001087 162666291 172501112 170616355 153936940 180019806 194709417 128114053 248007117 154359593 126472560 183230413 198489902 196826147 214125229 130339280 157887420 164485456 171645974 167163902 175512929 167867268 95048780 80245070 32520708 tryptophan N/F N/F N/F N/F N/F 22093474 25062730 17073900 18955263 20988999 12722760 11329344 22152372 23121801 18194158 10777749 17083769 17037920 29778665 19282986 24387119 20377609 10619389 31268131 21219656 9072996 13298400 14731301 20358472 22939645 19052090 17223156 17418207 17188837 17120655 16683361 15955599 6554191 5398029 1548463 leucine N/F N/F N/F N/F N/F 30699203 32791778 37725238 30247506 33586803 39815114 38698708 26533694 41917876 30814348 31436220 32654868 43097137 38556026 34398701 28410653 35945540 24316719 56741714 44490071 40261494 37359982 39467655 33379940 44543662 39585121 37426336 36614885 35034218 36520271 33271944 33045456 8153936 8539795 1371653 phosphocreatine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 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 xanthosine_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 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 Glucose 6-phosphate N/F N/F N/F N/F N/F 247318 439271 1385472 1134608 166266 220383 134579 223545 338326 400325 95410 424096 868801 332665 57760 96740 159635 183918 266972 197315 52072 127954 307026 189741 77889 163135 434137 340193 349220 326985 365542 273332 135074 112882 46963 citrate N/F N/F N/F N/F N/F 233162320 349482727 242363265 207297207 178649750 216154863 180807955 205645032 252416474 181972930 274074226 243275936 227289415 211246192 247247763 290238544 273640257 288275277 255485546 165928852 148437254 247997153 294608064 317029097 219226586 194896613 235985999 240568475 255659832 244688366 244946510 242305961 109524673 72130248 15861888 S-methylcysteine_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-acetylglutamate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 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 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F uridine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 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 N/F N/F N/F N/F N/F 1486560754 1416229609 3301780669 1903189821 1085386818 1198529125 1578376718 1084009089 1717880086 1341793337 1283065255 1594994352 2787660416 2104423050 1323731652 1157922929 1565079650 1393177713 2167452637 1530790413 1336649606 1116358653 1869302249 1479497722 1181076248 2725811839 1673719020 1646831151 1631179190 1598727036 1698513230 1597298326 671193810 526332148 181665440 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 aspartate-13C6-15N4 N/F N/F N/F N/F N/F 3277412 3482466 4300129 3835955 3437122 3827827 4490146 3239309 4406569 4543691 3767570 4229575 4438791 3338970 4270269 3859170 3865703 3843711 3841063 4132123 4603981 4115921 4024858 3457041 3716505 3841739 3670760 3867968 3757341 3652485 3592445 3540905 1858343 1552383 801449 Kynurenic 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 alanine N/F N/F N/F N/F N/F 59832353 54850300 116642060 70180742 49318003 55182626 63693160 41340256 72811815 56419666 49814718 66241880 100063521 78259357 49772210 53563563 65500019 57970703 88320361 63475485 53305009 55910346 76143728 57968751 61233009 91758481 67663895 62804135 63984786 64340742 66646111 62882593 24350204 18079994 5261782 acetylserine N/F N/F N/F N/F N/F 3685130 4142737 5338709 4379429 3259960 6592300 4014100 2928951 5072677 5998898 4243993 5107681 5944364 3781048 4746661 4247589 4231768 3891339 4374617 5878127 5605404 5675037 6811564 3779470 3243520 3831104 3581111 3878803 4548930 4502306 3554315 4143511 N/F N/F N/F lysine-13C6-15N2 N/F N/F N/F N/F N/F 33229409 33641405 35391562 35464310 31495927 34315665 31020213 31550583 32895558 32012258 30071078 35256289 33938453 30216445 38661725 34648039 35174144 34168355 35530194 34188044 41599630 31557669 33838978 34254972 35100049 28079550 31804218 31910890 34232852 36301412 34545092 35626297 17398442 14908137 6488568 cystine N/F N/F N/F N/F N/F 427122 366558 437830 372544 266919 288653 451010 275818 530239 453311 334960 215960 292746 518371 787287 400187 451963 232533 617511 799991 N/F 110705 431587 391171 259975 118593 354766 334454 351417 373972 617643 341478 277252 133254 46481 Piridoxine N/F N/F N/F N/F N/F 7182221 7997756 10419856 7845076 8572263 10206460 10686497 6723033 10459581 13345570 9506608 9614873 12557355 7913421 12779199 8531395 9173555 9895775 9164527 9891740 12404340 9047881 11116190 6917878 8489144 11280192 8665330 9110388 9121496 9467212 9035809 8976513 3959596 2935764 N/F methionine N/F N/F N/F N/F N/F 71950445 75705972 64882499 74120806 107817895 71537508 44515787 59831319 56958339 33119581 65141919 46868350 45826690 91804922 35128254 91774282 132305055 64769208 116673586 52487123 37553121 60411895 68431406 66413098 110360562 52055208 61454788 63416624 62358293 60161808 59424686 56651601 25570166 22624624 6470122 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 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 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 mannose N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Pyridoxal N/F N/F N/F N/F N/F 7451590 6727312 10397793 9292036 9347323 9284045 7921905 6110519 13571316 7799783 7419831 10869431 11895611 10103294 11586114 7448848 9125000 9908708 8375630 13256432 13751338 12376031 7288255 6226105 8567138 8185093 9684245 10042427 7977654 12245543 7779571 7510153 4071928 2101189 959765 cis-aconitate N/F N/F 399692 N/F N/F 7163535 10563348 7567907 7311610 8599151 N/F 4496512 6142677 7630594 7698708 11560355 8929260 7839277 5099881 10983763 11396118 10032923 9538455 6043674 5354165 10571231 15105078 7463486 9214100 12981377 6035763 7154556 7882489 9701991 8465174 6487860 7479471 3558131 2851848 919623 Itaconic Acid N/F N/F N/F N/F N/F 1478366235 1585994974 1032939515 1483926084 1509945841 932951207 624548640 1375498741 1079640973 501410829 775744734 864920827 761542571 1467205921 917561674 1475284606 1606363483 541507063 1695889393 1211119246 886258540 797073717 953824810 1519335598 1645212326 563501477 1164909078 1113367274 1115486449 1145840385 1150506767 1076191337 585628544 508238444 287259601 inosine N/F N/F N/F N/F N/F 68922652 85931615 126905151 58126330 51180500 62249820 89920190 60598024 118066564 51265921 51049525 79854055 106883229 119883229 6176187 50627011 78859166 65425380 142119377 92956192 6180047 35894285 61166858 44633673 41111067 96423224 66785299 69684786 69502527 68735563 68386354 66258519 36432342 31097543 12422692 argininosuccinate N/F N/F N/F N/F N/F 9907865 10933884 8583037 7750089 8998879 8126838 5558173 6818456 7255701 6436028 6647432 5279708 6105871 8184579 3891401 6442635 5998126 4575303 8429236 4296647 4409194 4486123 5570641 5976197 6020540 4238793 6062915 5961764 6277135 5957877 6471687 6168234 4341754 3212832 1525879 acetylaspartate N/F N/F N/F N/F N/F 4487409 4092559 4903069 5093156 6503160 3882108 3233780 7020485 5885112 4133577 2965217 4480548 6137457 10111417 3973937 4377423 6226445 3993664 11088004 4957220 4054013 2151665 5763205 4690847 5352592 7127017 5104495 4538477 5921974 5018124 6150202 4381095 2613276 1425230 487783 biotin N/F N/F N/F N/F N/F N/F 543161 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 393013 N/F N/F N/F 462591 N/F N/F 229992 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 N/F N/F N/F N/F N/F 31395652 30058565 70261135 38089848 19298399 21984260 27106418 22089277 25769590 22094217 19080126 32590914 61183636 49645189 15780384 17303677 25220645 22792400 40629310 24910892 20913813 16378407 31224839 26639239 18832958 45949333 28866998 29397810 30083414 30288386 31671894 28675912 14134128 11411846 7141213 N-acetylornithine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 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 N/F N/F N/F 1084738 955643 N/F 1173874 880010 N/F 1497424 643144 N/F 1808994 N/F 1553416 N/F 953609 N/F 701965 801269 N/F 985558 2260879 N/F N/F N/F 1005849 819070 2457284 1190634 1308776 1565984 N/F 1520567 1668320 812095 N/F N/F proline N/F N/F N/F N/F N/F 9186106 13383774 23630249 15224776 16341694 35231839 20396789 7062903 16868210 14822116 11724666 15169765 16094600 17698976 14969888 11130696 16568816 14053234 32056925 13654251 17838955 22069648 17700067 18023746 17291248 27533308 18430847 17466301 16506112 18248460 17689734 16192010 5572277 5307328 1549276 N-acetylglutamine N/F N/F N/F N/F N/F 23529768 26879512 35042435 27833936 24111889 31052596 29875560 22510904 37969591 33430062 29111290 28412642 31424042 31917692 44582979 26192771 27089145 27771222 29188464 27566511 39910060 26708736 38104969 19116029 23861612 28719441 26763808 30095898 28641088 29225864 30772941 29087048 13737916 11098996 3750831 N-acetylmethionine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 90483 N/F N/F N/F N/F 228466 N/F N/F 202356 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F isoleucine N/F N/F N/F N/F N/F 12173790 13800337 12459485 10802175 13363447 21113059 14435282 7214599 16880976 12979722 9401001 14174651 16015400 12701030 13869453 14107064 13381612 9544370 23692753 14960928 12947373 13147412 16050107 12767295 13947267 10856530 13835353 14944715 14437351 13807263 12555195 10356777 5669123 3908723 1356073 acetylglutamate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 755515 N/F 1102471 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F carnitine N/F N/F N/F N/F N/F 91548483 76665820 198965563 115904784 78437382 106624336 125236582 62085121 157476084 101364958 99906273 135129395 165521917 189961771 239287982 77508604 87062688 77094871 155163327 119075405 112291811 84071275 131609137 76545227 78862264 263973427 125071014 126692922 124966788 126178248 119875451 115805979 44895477 38521909 11443008 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 proline-13C5-15N N/F N/F N/F N/F N/F 331035285 322189575 330113736 356790487 298879625 337093330 275090405 208213642 354069816 322449255 309699862 316215406 306342289 312870044 354835358 342285758 350251015 283523692 377479376 345895037 389223025 319483105 315369971 317755783 345818722 304862827 334976258 309120866 313286486 318468948 308856788 304380028 122008299 97016523 27550741 glucose N/F N/F N/F N/F N/F 8154332 7148470 8744074 9408874 7153193 9126839 7822405 6865623 9452524 13291038 8148002 9319375 8274990 6794722 8386790 8661633 8141386 8647454 8644369 9251780 9987839 8237606 15259032 8392962 8635137 4933279 8062606 7539371 8504041 8078607 7961635 8758977 5040203 4264979 2054024 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 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 3-methyl-2-oxobutyrate N/F N/F N/F N/F N/F N/F N/F N/F N/F 1256947 N/F N/F N/F N/F N/F N/F N/F N/F N/F 5719631 N/F N/F N/F N/F N/F 3956831 1961645 N/F N/F 2986291 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F malate N/F N/F N/F N/F N/F 50261261 53096041 61684086 58918357 51348561 54983911 54622685 45752801 63461777 54384267 54900426 53250491 59735848 50266324 69308886 54752020 54989025 53497483 54795717 62900896 64637383 64481510 62138586 54666613 62469493 57220181 60621345 57969485 55720304 56307884 61466639 57303851 29970758 23902648 15394171 succinate N/F N/F N/F N/F N/F 36790413 37807536 27478215 30664117 32792115 20926084 17041482 27980287 25918433 13366266 20795838 20630206 23726533 31855893 24294850 32665468 35545756 14575398 43988977 30792333 21315402 20462911 22404009 34853359 39331909 14797671 25153433 25600265 30318558 33776858 29458321 27782236 14477998 9798912 7102212 histidine-13C6-15N3 42353 N/F N/F N/F N/F 316224308 298385858 278301357 306999427 306415419 310041340 282299908 283942762 280644489 361143072 253463310 294718267 298362637 286778994 293897124 305887574 328485156 278523455 319032383 283687016 303844595 294652403 321164022 322570153 333618062 265473820 282615128 296982502 303317678 295607953 306828518 291069289 174332312 147427718 59364752 phenylalanine-13C9-15N N/F N/F N/F N/F N/F 361553885 357809264 337677886 369940033 364822166 338308458 284431671 305174973 372822314 289465671 312770566 324272375 334311326 338892766 333472977 376948993 385116804 283885267 400004743 361241562 356760908 333275258 325184768 346085709 393291964 294109755 340435498 347013593 325041716 333021798 327619713 312258849 140996100 129451353 22405285 homocitrulline N/F N/F N/F N/F N/F 281000 354625 430775 86431 275330 375260 N/F 147214 N/F N/F N/F 495078 N/F 328875 1803116 221451 193481 N/F 293846 136421 N/F N/F 794333 635351 149870 N/F 585259 722624 N/F 405418 571761 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 gamma-aminobutyric_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 6870862 N/F N/F N/F N/F 8890466 N/F N/F N/F N/F N/F N/F 7800868 4259886 N/F 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 11935148 7569068 3961787 6302873 10743140 15884167 8648269 3897076 9985073 7552595 9626669 8398773 6999979 4864847 8451741 11512030 8934113 9154153 18569365 7864639 6614615 9550278 10017271 10118696 11060420 2878442 9267082 8706427 10778991 8965457 11603201 8630770 2912325 1499123 N/F citrulline N/F N/F N/F N/F N/F 60864127 54162978 41722779 38598487 58139195 39985497 39574507 31082820 29244804 33663199 32402115 29540678 37756285 37451660 64265515 47302482 46306386 40500126 66778357 60578377 53396544 49198704 52018913 39692134 48675650 29620753 43521107 42201956 43826827 43385315 46110871 45771713 21146052 15469287 4742564 2-hydroxyglutarate N/F N/F N/F N/F N/F 1921353681 2036507954 1387301680 1908903278 1988899568 1235203819 842260096 1814420212 1437135929 701576255 1054659349 1169294436 1030584805 1890554336 1216237824 1904490639 2043258281 772289259 2160033310 1601554063 1154159636 1076642141 1288284339 2001002430 2144461496 778824396 1520326897 1463686859 1473424319 1516769042 1520192736 1428542156 803660791 667041747 387098044 serine-13C3-15N N/F N/F N/F N/F N/F 4509727 4098848 4696525 4573457 3999831 4316965 3684146 3694143 4639780 3805604 3986798 4203594 4427934 3849393 4803048 4173614 4333982 3723677 5010843 4774609 4856802 4170821 4260097 4728017 4356479 3519309 4429260 4175829 4317696 4398804 4572317 4196608 1463255 1012516 229298 valine-13C5-15N N/F N/F N/F N/F N/F 47141725 44823264 35117716 46241639 42622293 33734610 30783058 36678889 43519373 32340661 35091666 35769794 35392689 43288839 39239396 50586168 53556247 29820416 53397536 41702035 41885721 34347978 36608250 43463146 51626666 33875066 40677360 39188414 37160240 37154587 36671752 35028103 13234353 11812944 3118794 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 O-phosphoethanolamine_unc N/F N/F N/F N/F N/F 672997 703740 1567019 1084616 906158 597672 446040 479118 1026535 919414 517138 928378 1044316 871624 966677 882219 916774 743922 980928 721623 884446 892069 772425 664594 768136 893520 778904 919944 710578 982325 878761 942937 318043 240251 93043 niacinamide N/F N/F N/F N/F N/F 79845981 99344751 50003293 30159401 17280886 106297273 102604268 56087638 72311644 82505602 71522497 67612225 83548436 51053687 35431779 63466396 22193557 24767300 74389206 87185003 114805268 41820359 100675370 74017964 36952024 75675270 71005889 69927241 63232581 67384071 62004928 63487158 22146235 20499192 6364255 """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 GSH_Ellmans N/F N/F N/F N/F N/F 141129 157583 480999 263542 182051 99639 173741 127010 198424 237966 173939 158146 424659 294027 21498 240348 193716 310010 453805 257223 69240 588179 545411 392768 504585 486016 325038 229822 200973 151094 248259 340851 72338 31913 N/F asparagine N/F N/F N/F N/F N/F 1196472 1274458 1906587 1278074 1541800 1773189 1702084 1145878 2135005 1734437 1253820 1564346 1611051 1586155 1773854 1477567 1496287 1482068 1992218 2235050 2035084 2351970 2417862 1650859 1904962 1444385 1806328 1607408 1886967 1990752 1870710 1841581 660150 355712 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 myo-inositol N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 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 240919 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 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 N/F 774395 994806 1911662 2332425 819565 613912 219566 435465 1956261 1406004 426221 1309330 2004612 1205999 352982 633229 945081 1110034 743184 768901 N/F 43327 330834 333980 21132 650136 825291 890513 1013936 1050530 1052708 858631 303728 274077 73182 betaine N/F N/F N/F N/F N/F 66756100 70079221 71476987 58159125 47627875 54946712 133793084 42417542 120058474 63948155 64792389 81480496 98657101 97370173 37860392 65964912 63858362 40886856 74744679 97959053 65570728 91539582 96920328 45406594 92845712 99244094 70574900 70376646 70091364 76584665 74562899 74961682 23532360 18783693 N/F tyrosine-13C9-15N N/F N/F N/F N/F N/F 140496326 127771457 102386318 131720888 124600200 99135679 64145817 79004758 104844113 80399943 90233508 98341884 75832007 132154438 99773245 133065281 131123200 76174355 153853746 110258753 111721893 87697308 79698171 127872536 135440799 76142573 103285106 97452172 100626723 98956839 92863148 93760199 41435253 37030146 9787848 phosphoethanolamine N/F N/F N/F N/F N/F 864470 862580 1592536 1372510 1099885 747934 563441 800130 1245843 1078705 626984 1020312 1031112 1190210 1116755 1110625 1005133 807544 1342591 1089884 989893 1018986 981740 959584 1206044 919539 1078129 879910 969729 1052164 1038876 1048099 350642 275550 22219 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 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 threonine-13C4-15N N/F N/F N/F N/F N/F 57424416 53741314 43406085 50406693 48934526 48706335 38293634 42343150 45905713 42350594 38335713 45286440 43148075 49151958 45708634 52181922 57161697 36418272 66811972 46972847 51245784 40641365 46560634 58978119 57412501 32603402 44210997 43495956 50401461 48951095 46631722 44431008 14339531 9743449 2183939 guanidinoacetate N/F N/F N/F N/F N/F 617796 862455 1899884 903891 748643 755499 1049673 509927 945697 770571 795447 976266 1117385 1612070 1460599 637371 970366 945621 1410719 804196 1083257 873885 905995 859406 826841 1430079 961629 1023171 1062878 913866 1485755 1145976 481350 280929 87133 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 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 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 Carbamoyl Aspartate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F glycine_13C2-15N N/F N/F N/F N/F N/F 659730 720855 651577 723017 592283 592252 486007 600891 667744 406352 486463 630007 539857 649261 641699 707733 632844 585283 823489 856407 694100 518958 700452 635291 724369 435743 519367 581482 572554 729624 628598 640928 205394 63155 10004 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 nicotinamide N/F N/F N/F N/F N/F 79845981 99344751 50087041 30159401 17280886 106297273 102604268 56087638 72267538 82505602 71351015 67823140 83785268 51053687 35431779 63466396 22193557 24767300 74389206 87185003 114805268 41820359 100431469 74017964 36922435 75675270 71334420 69927241 64041757 67384071 61859335 63294162 22146235 20499192 6240849 Alpha-Ketoglutarate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F thiamine N/F N/F N/F N/F N/F 47789 97560 16377 50256 N/F 31957 58078 30307 N/F N/F N/F N/F N/F 117004 N/F N/F 56841 38602 69155 54881 N/F N/F 20397 32663 N/F 54013 N/F 44434 59744 N/F 43765 54853 22219 43905 17203 Glycerophosphocholine N/F N/F N/F N/F N/F 46085431 34460372 179579941 52020684 32954340 55153422 45405737 30479377 75091268 61221459 37372871 81761414 99291894 102335665 52296396 50509577 51070429 50420141 89772416 59388490 31837164 49477204 68795622 56007228 44927780 123626068 68300625 62676147 65834237 68870875 75125781 66375425 20951709 15229452 2811304 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 arginine 1035414 N/F N/F N/F N/F 541000044 554515626 559739008 415028485 429551831 493529627 515660054 425180453 529894105 423337246 433374906 408542909 543485119 496528116 382617427 475243681 469847665 445924674 707445366 544973733 391565269 434166347 616487968 439322806 425690686 521908301 471119691 475502319 493650093 503080911 493803926 507852761 283268589 257415771 109632489 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 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 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 Methionine sulfoxide 33172 N/F N/F N/F N/F 14016575 10082346 34117379 23717529 14535972 27931258 34402636 6668269 23508233 19883699 28010145 22984972 26976052 21347794 21701003 26908175 24046639 45119687 17319474 17957505 20412753 16046782 35303155 18407279 15436182 26053776 20775160 21001334 27064470 25768779 25541760 23721480 8658802 5945166 1589492 creatinine N/F N/F N/F N/F N/F 48387920 53582122 42247708 33354132 39471240 61916543 52210915 43628001 54216498 37873377 55558823 52025489 43158697 50527894 40175422 33153142 25042833 24028885 52498442 37662239 53844381 44009840 57693627 30912914 42411704 42385443 45331645 44658923 41908950 43019337 43868213 41362568 21817169 18007908 6148728 3-methyl-2-oxopentanoic_acid N/F N/F N/F N/F N/F 632836 655418 599064 N/F 850860 N/F N/F 818607 N/F 681380 N/F N/F N/F N/F 6341882 831324 841273 N/F 1004499 N/F 4401745 1011288 555846 1117864 1815515 N/F N/F 1130337 1302510 757977 1321015 1137651 N/F N/F N/F N2-acetyllysine N/F N/F N/F N/F N/F 5083933 N/F 4792063 6773969 5693013 5226646 4518554 4353539 5196667 5116055 4602267 5347594 4750402 5137706 4628509 N/F 2802996 2515068 4846141 5463513 4078114 4691451 6676975 4977685 5029479 4768734 4898149 4897082 4465781 5377870 4255195 5056112 2107960 1921098 553572 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 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 choline N/F N/F N/F N/F N/F 116573 N/F 1131627 129866 N/F N/F N/F 106553 322675 198042 N/F 605467 359975 569656 319608 93295 143429 147803 N/F 186817 N/F N/F 167214 179319 138114 N/F 235973 320668 N/F 198821 N/F 247415 N/F N/F 67426 ADP N/F N/F N/F N/F N/F N/F N/F 171299 N/F N/F N/F N/F N/F N/F N/F N/F N/F 252243 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F lysine N/F N/F N/F N/F N/F 154855480 161472235 189295675 143546492 122032433 147920097 160628684 137356490 194949573 156548667 129189105 170236992 177915941 164981972 132395362 148975802 131077732 128955845 206882250 185193974 127514357 140563729 200952514 146534965 149023214 174348618 150177842 151881692 160632882 168676284 160627750 165473093 83579919 68020614 31051870 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 dimethylglicine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 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 pyruvate N/F N/F N/F N/F N/F N/F N/F 7944035 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 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 NAD+ N/F N/F N/F N/F N/F N/F N/F 979997 607587 N/F N/F N/F N/F 484925 N/F N/F N/F 748214 238352 N/F N/F N/F N/F N/F N/F N/F N/F N/F 52947 N/F N/F N/F 94712 N/F 187031 209948 N/F N/F N/F N/F hypoxanthine N/F 184884 N/F N/F N/F 293080823 379989234 657495381 241523344 211831024 299330731 484929724 270014612 518500171 213377908 304527223 363269605 522701589 535556130 48528903 313185205 405284444 345925725 810639791 504489475 69942717 242314504 338113257 257750381 257432784 653155613 372589684 362482651 362293575 359191849 362162341 355052245 181435541 150244713 62483433 IMP N/F N/F N/F N/F N/F 703746 230946 3208512 3480856 N/F 195232 N/F 389749 N/F 225693 N/F 1573824 4946666 1378942 N/F N/F N/F N/F N/F N/F 77769 N/F 781072 N/F N/F 94756 531083 544812 617844 648305 602349 633399 243339 169330 4613 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 5-Hydroxyindole-3-Acetate_unc N/F N/F N/F N/F N/F 679150 N/F N/F N/F 816136 N/F N/F N/F N/F 503358 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 529714 N/F N/F N/F 665397 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 117379 N/F N/F N/F N/F 98707 45207 N/F N/F N/F N/F N/F N/F 53695 N/F 64579 N/F 102987 122353 N/F 53368 N/F N/F 142067 27566 N/F 26316 21441 87459 27300 130297 94178 56822 16763 13637 adenosine_unc N/F N/F N/F N/F N/F 319555339 358889187 360543158 243430525 316431069 388901376 332540736 296617168 316643511 194010523 406139655 328568877 326806568 305654377 893031 560613888 398897278 344988114 580730417 287090354 18975334 379868502 499601574 341502137 399388787 444840563 340940112 333610538 331212830 337240510 322123179 310739828 148200469 138986911 63345487 uric acid_unc N/F N/F N/F N/F N/F 11323934 14441197 17318303 10529923 12619650 15723086 20934013 7394274 19348819 22407212 17921183 14466258 14735252 19498053 15147045 4439327 12159778 11482900 9169459 14160184 7051221 7363297 8158953 8654909 7217236 11231100 12830896 13083710 12990159 12762725 12889174 12308988 6860947 6116224 3127018 2-aminoadipate N/F N/F N/F N/F N/F 33157353 35040366 26796039 29572478 32320960 24161861 20512789 31272892 25816869 23618395 21708570 24436944 26445965 32724798 29085116 25568701 32152174 25220490 37226987 21546273 25429086 20551775 17685810 31617789 38309280 21692891 23977199 27643119 28764495 26219897 28185893 29856083 16615743 14189468 5467689 cytidine N/F N/F N/F N/F N/F 63131495 73760624 82108612 53493875 58784455 59555494 64294378 54450027 72479386 49277605 51711586 59243360 70920719 81910553 6051081 51797743 74549437 45804723 98359475 64536031 6142070 42252598 57702132 47599654 48332503 62252153 55290405 57131623 53785968 55841341 51369199 54393927 24149098 20218670 6592821 C5 Carnitines N/F N/F N/F N/F N/F 599968 900785 2527482 1261811 1363391 1016774 1266480 637613 1033000 481978 813420 819345 840519 1710631 3748652 1126462 1292387 905508 1662409 949630 695379 1352659 949899 1023639 1125779 2886052 1360586 1429868 1553385 957437 1354089 1277300 538288 469371 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 Pantothenate N/F N/F N/F N/F 76366 145178410 156369681 89481338 122186514 80558621 51429100 59153461 104807589 160822051 135690682 67498429 117479455 173333810 147191672 126787137 150320638 35755464 35962933 65136284 179104112 94227706 106412218 58592016 50430458 102534785 183411167 105820303 111343268 106040880 104565045 112025799 100222238 59038940 47502581 18661928 glutamine N/F N/F N/F N/F N/F 1858314051 2130824915 2463039217 2063613807 1808495133 2167742849 1923951102 1727343922 2160772983 2123083172 1861509614 2064963146 2312501358 1794981771 2202760737 2007550915 2010253919 1835614796 2533961244 2214665039 2049308238 2120276090 2749537743 2176225200 2021340169 1877448678 2113415146 2034792387 2119993559 2064484054 2188657975 2091996378 978949652 728754923 267517738 phosphocholine N/F N/F N/F N/F N/F 22270366 23110867 53152971 25999027 21066177 24571228 19438977 17872860 29874286 27065462 15920889 25267065 33087720 34971562 23126499 23335678 24502375 19054571 49101572 27957702 20272529 20018950 23349311 43432988 20357704 43761685 27823885 25693855 29744013 33879593 34870309 29279985 8843740 5750758 1615736 fumarate N/F N/F N/F N/F N/F 3947804 3022615 4316283 4401462 3522032 4130941 4027306 3049402 4594319 5046833 3217733 3544001 5464946 4325642 5323298 5015182 5051667 3891256 2666118 4461527 5499249 4537561 4287219 3802930 4154542 5208168 3671432 3451228 4239462 4111254 4612880 3977743 2683480 2037153 833825 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 leucine-13C6-15N N/F N/F N/F N/F N/F 125962129 129464151 132717928 137534339 140435973 104329194 104182340 103587798 145244639 98714926 111147821 109982611 115982861 131371800 131459731 139847115 148741983 92301428 147680683 130077576 126286186 118183240 109507674 124390804 159257719 109850000 124245914 125196376 118263077 114943727 116691074 112611515 36970936 36695503 8433092 ornithine 1898551 N/F N/F N/F N/F 4711848 4948658 5806934 4510316 5700862 15576610 7246420 4012903 5027121 4992683 5337315 4623211 4287791 6232252 3504095 4848769 6400455 5508080 9306564 4852315 4374802 7160755 8242305 6033225 5007611 6383535 6209877 5906336 5834237 6241363 6168519 6105727 4593156 4289903 2823121 guanosine N/F N/F N/F N/F N/F 12368221 16278712 18880050 8261572 10350861 12016627 15438145 10184459 16301079 6681350 10825261 11833485 15874729 20486397 N/F 11684104 15258951 9399148 24192770 15100478 589984 7530185 11334419 9669901 10015609 15226197 11282750 11413112 11937295 11100545 12171055 11043746 5055396 4168023 1346988 threonine N/F N/F N/F N/F N/F 105464576 97126088 91545416 101157328 96828506 80030843 68572945 75156338 81473924 72277407 54784192 79909906 81655259 112601783 93204974 129222717 110334813 66954212 122730658 82499482 78194007 84829290 101112405 89266819 145414074 50833962 79841366 71023635 84918476 91638498 87648920 83903477 25194780 15746973 3227639 2-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 N/F N/F N/F N/F N/F N/F N/F N/F N/F trans-urocanic acid N/F N/F N/F N/F N/F 16580836 16062491 38991854 26394115 82961816 147376359 64922341 12457276 37002194 50867678 38958508 52506306 57220327 11336455 47091730 21321373 28043542 39035402 40141984 39068138 62056592 65684750 41195479 18408497 20146090 52760091 41010121 38577441 42770991 35666429 40077044 41409219 17661531 15012077 4502845 methylthioadenosine N/F N/F N/F N/F N/F N/F N/F N/F 70343 N/F N/F N/F N/F N/F N/F N/F N/F N/F 65533 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F trimethyllysine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 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-methionine N/F N/F N/F N/F N/F 5339112 6105157 6846358 6319681 5776271 6631606 4124359 5703654 6037857 5846191 4895850 5028212 5503616 6944883 2389735 4386861 4635631 3705518 5504587 4200594 2535985 3970798 5722357 5811291 4490100 4434404 4744761 4984056 4585074 4027035 5243684 4927396 3374211 2901412 1266331 guanine_unc N/F N/F N/F N/F N/F 13480349 14454200 14779848 N/F 6380177 6940444 18963600 8644043 N/F N/F 20580245 10071972 N/F 17368848 N/F 13665217 6801533 5844007 15493421 4094574 N/F 20219212 17029827 19234331 20848559 23405212 9925302 10640990 10816498 10521783 9705717 9803163 6071045 4306479 1984854 aspartate N/F N/F N/F N/F N/F N/F N/F 2164693 N/F N/F 2684848 N/F N/F N/F N/F N/F N/F 2047434 1809126 N/F N/F N/F N/F N/F N/F N/F N/F N/F 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 N/F 5025463 5268889 4713755 4942381 3481843 3948144 2728702 3765805 5201059 3444450 3179316 4167455 3953120 3353286 3153941 4458666 5082204 3497245 4301912 3738946 4850287 3348578 3905403 5172338 4310339 3020029 3679301 4407138 3774464 3562580 4957818 3733936 1523217 1672880 499171 acetoacetate N/F N/F N/F N/F N/F 15441031 21195743 11247840 14364907 16072053 16972310 10510884 14743959 10512527 9452963 6971226 6800736 11426884 16170385 11599515 16187313 16917875 6229796 16107730 10937897 13569738 14639285 13020346 13323277 18503776 7999003 12098954 11938376 12362862 13878870 15300426 13942850 1659544 N/F N/F phenylalanine N/F N/F N/F N/F N/F 92241237 91548759 98178532 82286679 80875095 110257714 89953854 81656126 113519139 91001902 81998769 92869708 98118876 111191319 113727305 92498312 95541364 73246068 155745402 119895755 89684436 102009711 118168590 104864737 106236324 101727494 100606784 102344279 97238613 98477238 97294362 93324810 41195243 39173370 8038678 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 gamma-glutamyl-alanine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 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 cAMP_unc N/F N/F N/F N/F N/F 1166318 1479068 1047090 967410 532620 1060089 1785416 808844 1584507 368557 1119693 1143227 896362 449412 N/F 1482345 1325936 1242656 2995463 1429090 N/F 1109842 2009706 1587929 1458354 3132457 1218461 1092568 1098074 1076768 1033480 1192882 270831 322647 58311 phosphoenolpyruvate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F kynurenine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 3-ureidopropionate N/F N/F N/F N/F N/F 1218672 413226 N/F 854625 N/F 820649 N/F N/F 402674 N/F 733666 N/F N/F N/F 375997 1342497 985424 N/F N/F 1065933 N/F N/F N/F 343654 N/F N/F 489534 N/F N/F N/F N/F N/F N/F 203920 N/F Glycerol 3-Phosphate N/F N/F N/F N/F N/F 1177101 1249490 2810116 1356552 1275996 968575 1342402 844237 1315452 1131749 1062802 1412713 2013945 1378016 994083 1505126 1833655 1284503 2131502 1510553 775498 1370279 1374424 1192433 1503689 1588720 1368891 1266849 1628481 1413106 1325061 1167843 558607 414963 94656 Phenylacetyl glutamine 120348 N/F 435747 214631 248557 248583 142327 293751 202012 166300 235143 341179 125187 333230 513762 182374 1399012 634610 154912 423073 283450 187658 680903 380562 312495 602354 343832 292283 132304 271818 317547 404218 428604 768069 1362372 1411798 633468 140128 191205 275778 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 """glutamate-13C5,15N""" N/F N/F N/F N/F N/F 4918878 5416345 6170534 5945660 5381007 5563181 5833916 4698629 6100408 5926558 5485423 5604385 6299429 5194463 6410314 5900098 5602757 5535211 5942427 6066560 6189980 5455628 5709060 5531065 5441221 5413618 5922429 5646669 5621073 5632007 5397045 5525276 2913901 2198035 1149078 acetylmethionine N/F N/F N/F N/F N/F N/F N/F N/F 27726 25145 N/F N/F N/F N/F N/F 24929 31103 36589 81526 N/F 94749 91575 N/F 95405 N/F 28003 233973 N/F 13290 231213 N/F 19919 55011 N/F 20993 N/F 46663 N/F N/F N/F palmitate 269972 1068679 746616 737836 N/F 2397645 939771 1956755 536878 20645251 1438411 1252057 1729847 931809 4560949 3010092 1009674 N/F N/F 1647496 878922 N/F 1675247 1724827 3067449 1698543 1117882 5246586 1066692 833303 1234429 1589388 1685875 1995076 986299 666866 694126 N/F 1494895 719338 Ribose_Ribulose 5-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 formyl_methionine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F propionylcarnitine N/F 764040 N/F N/F N/F 1605191 1382540 4219512 1484898 1437413 1655897 1689173 1085224 2151721 1977769 2087481 1596003 2787062 3850730 1983356 952263 1760756 1152758 2524943 1621253 406939 1287278 1345682 1000642 1182171 4710607 2066286 2083742 1971561 2191424 1932387 1807603 1332464 857325 246640 acetylcarnitine N/F N/F N/F N/F N/F 49713033 40841978 123811396 64035538 32526439 48051631 55615840 33244216 76766761 55457886 41640331 66877300 110864850 91076652 131309951 33156191 42434265 36008390 82544881 63504364 37648433 37790427 56482027 30422054 36881022 115895085 65614738 63098860 59982003 63398488 61393417 54161879 21350423 19681302 4957971 glutamate N/F N/F N/F N/F N/F 935405 601230 3147751 1308243 896771 1891887 1161216 705494 1595967 2707876 1111379 1677488 2840458 1998704 N/F N/F 685207 1377631 1685253 N/F N/F 1595519 1321456 1133850 779916 1947457 1407880 1828832 1830727 1835215 2039980 1654409 700516 1059452 466050 2-aminobutyric_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 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name alanine-13C3-15N "Fructose 1,6-bisphosphate" asymmetric dimethylarginine (ADMA) Picolinate 3-hydroxybutyrate UDP AICAR CTP AMP serine 2-oxoadipate_unc hypotaurine ATP CMP methionine-13C5-15N carnosine F6P_G1P_unc 3-phosphoglycerate saccharopine_unc Alpha-Lipoic Acid_unc ALA_114 Sedoheptulose-7-phosphate folate_unc """arginine-13C6,15N4""" pseudouridine_unc GAR orotate Isoleucine-13C6-15N homocysteine Butyrylcarnitine dTTP GMP 1-methylnicotinamide_unc Ribose 1-phosphate_unc ascorbate sarcosine dihydroxyacetone_phosphate 2-oxobutyric_acid GSH_13C2-15N-Ellmans lactatic_acid cystathionine glycerate tyrosine dTMP adenine glycine GTP cytosine_unc NADP Nicotinic Acid ADP-ribose_unc N-acetylphenylalanine Pipecolate xanthine valine dihydrofolate_unc anserine_unc erythrose_4-phosphate_unc histidine tryptophan leucine phosphocreatine PRPP_unc xanthosine_unc indolelactate Glucose 6-phosphate citrate S-methylcysteine_unc N-acetylglutamate S-Adenosyl-L-Homocysteine uridine creatine allantoin aspartate-13C6-15N4 Kynurenic Acid alanine acetylserine lysine-13C6-15N2 cystine Piridoxine methionine dUMP dihydroorotate_unc 6-phosphogluconate mannose Pyridoxal cis-aconitate Itaconic Acid inosine argininosuccinate acetylaspartate biotin taurine N-acetylornithine dCytidine proline N-acetylglutamine N-acetylmethionine isoleucine acetylglutamate carnitine amidoadipate proline-13C5-15N glucose N-acetylcysteine FAD 3-methyl-2-oxobutyrate malate succinate histidine-13C6-15N3 phenylalanine-13C9-15N homocitrulline GSH-13C2_15N gamma-aminobutyric_acid hydroxyproline_gammaALA citrulline 2-hydroxyglutarate serine-13C3-15N valine-13C5-15N cysteine_unc O-phosphoethanolamine_unc niacinamide """2,3-BPG_unc""" GSH_Ellmans asparagine Acetyl CoA myo-inositol GDP GSSG betaine tyrosine-13C9-15N phosphoethanolamine CDP Riboflavin threonine-13C4-15N guanidinoacetate UTP cysteine-glycine glyceraldehyde_3-phosphate Carbamoyl Aspartate glycine_13C2-15N phosphoserine nicotinamide Alpha-Ketoglutarate thiamine Glycerophosphocholine acetylglycine arginine UDP-GlcNAc thymidine uracil Methionine sulfoxide creatinine 3-methyl-2-oxopentanoic_acid N2-acetyllysine UMP GSH choline ADP lysine Coenzyme A dimethylglicine NADPH pyruvate acetylalanine NAD+ hypoxanthine IMP dATP 5-Hydroxyindole-3-Acetate_unc folic_acid adenosine_unc uric acid_unc 2-aminoadipate cytidine C5 Carnitines UDP-hexose Pantothenate glutamine phosphocholine fumarate NADH leucine-13C6-15N ornithine guanosine threonine 2-hydroxybutyric_acid trans-urocanic acid methylthioadenosine trimethyllysine S-Adenosyl-L-methionine guanine_unc aspartate beta-alanine acetoacetate phenylalanine cysteine_13C3_15N1 gamma-glutamyl-alanine p-aminobenzoate cAMP_unc phosphoenolpyruvate kynurenine 3-ureidopropionate Glycerol 3-Phosphate Phenylacetyl glutamine CDP-choline """glutamate-13C5,15N""" acetylmethionine palmitate Ribose_Ribulose 5-phosphate formyl_methionine propionylcarnitine acetylcarnitine glutamate 2-aminobutyric_acid METABOLITES_END #END