#METABOLOMICS WORKBENCH boryana_ptrva_20210915_065709_mwtab.txt DATATRACK_ID:2841 STUDY_ID:ST001979 ANALYSIS_ID:AN003228 PROJECT_ID:000000 VERSION 1 CREATED_ON September 17, 2021, 9:59 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 VI) 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 (VI) ST:STUDY_SUMMARY Anti-oxidation metabolism measurement in mammalian cells and tissues by ST:STUDY_SUMMARY quantitative LC/MS method of mouse ctrl CSF. 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 - Mouse CSF Ctrl 1 Factor:PBS-1 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ441_20210403144300; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 2 Factor:PBS-2 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ442_20210403134529; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 3 Factor:PBS-3 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ443_20210402205911; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 4 Factor:PBS-4 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ444_20210403080025; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 5 Factor:PBS-5 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ445_20210403060526; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 6 Factor:PBS-6 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ446_20210403102412; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 7 Factor:PBS-7 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ447_20210403193036; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 8 Factor:PBS-8 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ448_20210403011757; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 9 Factor:PBS-9 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ449_20210402151403; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 10 Factor:PBS+MTX-1 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ450_20210403131645; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 11 Factor:PBS+MTX-2 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ451_20210403115029; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 12 Factor:PBS+MTX-3 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ452_20210402134749; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 13 Factor:PBS+MTX-4 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ453_20210403212538; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 14 Factor:PBS+MTX-5 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ454_20210402203026; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 15 Factor:PBS+MTX-6 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ455_20210403195922; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 16 Factor:PBS+MTX-7 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ456_20210403154031; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 17 Factor:PBS+MTX-8 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ457_20210403085756; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 18 Factor:PBS+MTX-9 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ458_20210402232257; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 19 Factor:Null GFP-1 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ459_20210403105257; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 20 Factor:Null GFP-2 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ460_20210403151146; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 21 Factor:Null GFP-3 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ461_20210403190151; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 22 Factor:Null GFP-4 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ462_20210403041027; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 23 Factor:Null GFP-5 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ463_20210402225413; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 24 Factor:Null GFP-6 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ464_20210403050755; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 25 Factor:Null GFP-7 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ465_20210402222527; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 26 Factor:Null GFP+MTX-1 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ466_20210403021527; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 27 Factor:Null GFP+MTX-2 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ467_20210403095526; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 28 Factor:Null GFP+MTX-3 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ468_20210402235142; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 29 Factor:Null GFP+MTX-4 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ469_20210403053641; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 30 Factor:Null GFP+MTX-5 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ470_20210403031257; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 31 Factor:Null GFP+MTX-6 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ471_20210402200142; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 32 Factor:Null GFP+MTX-7 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ472_20210402164022; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 33 Factor:Null GFP+MTX-8 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ473_20210403180419; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 34 Factor:CAG-GFP-1 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ474_20210402125018; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 35 Factor:CAG-GFP-2 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ475_20210402180641; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 36 Factor:CAG-GFP-3 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ476_20210402212756; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 37 Factor:CAG-GFP-4 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ477_20210402161138; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 38 Factor:CAG-GFP-5 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ478_20210403043912; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 39 Factor:CAG-GFP-6 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ479_20210403014642; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 40 Factor:CAG-GFP-7 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ480_20210402190411; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 41 Factor:CAG-GFP-8 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ481_20210403092641; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 42 Factor:CAG-GFP+MTX-1 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ482_20210403063410; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 43 Factor:CAG-GFP+MTX-2 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ483_20210402183527; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 44 Factor:CAG-GFP+MTX-3 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ484_20210402131904; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 45 Factor:CAG-GFP+MTX-4 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ485_20210402154249; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 46 Factor:CAG-GFP+MTX-5 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ486_20210403160917; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 47 Factor:CAG-GFP+MTX-6 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ487_20210402144519; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 48 Factor:CAG-GFP+MTX-7 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ488_20210403202807; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 49 Factor:CMV-GFP-1 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ489_20210403082911; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 50 Factor:CMV-GFP-2 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ490_20210403163805; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 51 Factor:CMV-GFP-3 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ491_20210403173535; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 52 Factor:CMV-GFP-4 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ492_20210403034141; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 53 Factor:CMV-GFP-5 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ493_20210403070255; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 54 Factor:CMV-GFP-6 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ494_20210403205651; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 55 Factor:CMV-GFP+MTX-1 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ495_20210403004912; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 56 Factor:CMV-GFP+MTX-2 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ496_20210403112143; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 57 Factor:CMV-GFP+MTX-3 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ497_20210402193255; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 58 Factor:CMV-GFP+MTX-4 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ498_20210403183305; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 59 Factor:CMV-GFP+MTX-5 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ499_20210403002026; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 60 Factor:CMV-GFP+MTX-6 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ500_20210402141633; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 61 Factor:CMV-GFP+MTX-7 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ501_20210403141414; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 62 Factor:CMV-GFP+MTX-8 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ502_20210402173755; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - Mouse CSF Ctrl 63 Factor:CMV-GFP+MTX-9 RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ503_20210403124800; other=3ul CSF 200 FB reconstituted in 25ul water with QReSS; other=folate buffer isoAAs GSH aminopterin; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - pooled sample QC 1a Factor:- RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ504_pool1x_a_20210402112359; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - pooled sample QC 1b Factor:- RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ504_pool1x_b_20210402170909; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - pooled sample QC 1c Factor:- RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ504_pool1x_c_20210402215641; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - pooled sample QC 1d Factor:- RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ504_pool1x_d_20210403024411; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - pooled sample QC 1e Factor:- RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ504_pool1x_e_20210403073139; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - pooled sample QC 1f Factor:- RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ504_pool1x_f_20210403121915; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - pooled sample QC 1g Factor:- RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ504_pool1x_g_20210403170649; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - pooled sample QC 1h Factor:- RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ504_pool1x_h_20210403215423; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - pooled sample QC 1/3 dilution Factor:- RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ505_pool03x_20210403222310; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - pooled sample QC 1/10 dilution a-2x Factor:- RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ506_pool01x_2x_20210402122129; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - pooled sample QC 1/10 dilution a Factor:- RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ506_pool01x_a_20210402115245; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - pooled sample QC 1/10 dilution b Factor:- RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_AJ506_pool01x_b_20210403225154; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - blank 1 Factor:- RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_blank1_20210402095740; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - blank 2 Factor:- RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_blank2_20210402102630; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - blank 3 Factor:- RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_blank3_20210402105515; other=-; other=-; chromatography=HILIC SUBJECT_SAMPLE_FACTORS - blank 4 Factor:- RAW_FILE_NAME=20210331_QEF1_HILIC_Aram_newGFPcontrols_MTX_blank4_20210403232038; 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 Mice were treated with PBS, PBS+ MTX, Null GFP with and without MTX, CAG-GFP TR:TREATMENT_SUMMARY with and without MTX, and CMV-GFP with and without MTX. buffers from study TR:TREATMENT_SUMMARY design were used for all respective samples. CD-1 mice (6-8 weeks) or Sprague TR:TREATMENT_SUMMARY Dawley rats (8 weeks) were given a single intravenous injection of 75 mg/kg MTX TR:TREATMENT_SUMMARY (Fisher Scientific, AAJ66364MD) dissolved in 0.9 % NaCl (Mountainside Medical, TR:TREATMENT_SUMMARY 0409-4888-10). MTX was freshly prepared for each experiment. MTX in mouse serum TR:TREATMENT_SUMMARY or CSF was assessed by MTX ELISA according to the manufacturer's instructions TR:TREATMENT_SUMMARY (Enzo Life Sciences, 142-0001). #SAMPLEPREP SP:SAMPLEPREP_SUMMARY For characterization by mass spectrometry, CSF was acquired 4h, 24h, and 48h SP:SAMPLEPREP_SUMMARY following a single 75 mg/kg MTX injection from 6-8 mice and flash frozen for SP:SAMPLEPREP_SUMMARY further analysis. Per condition, 3 μl of CSF were extracted by brief sonication SP:SAMPLEPREP_SUMMARY in 240 μl 100% methanol, supplemented with isotopically labeled internal SP:SAMPLEPREP_SUMMARY standards (17 amino acids and reduced glutathione, Cambridge Isotope SP:SAMPLEPREP_SUMMARY Laboratories, MSK-A2-1.2 and CNLM-6245-10) and 60 μl 20 mM Ellman’s reagent SP:SAMPLEPREP_SUMMARY in water (Sigma-Aldrich, D8130). After centrifugation for 10min. at maximum SP:SAMPLEPREP_SUMMARY speed on a benchtop centrifuge (Eppendorf) the cleared supernatant was dried SP:SAMPLEPREP_SUMMARY using a nitrogen dryer and reconstituted in 30 µl water by brief sonication. SP:SAMPLEPREP_SUMMARY Extracted metabolites were spun again and cleared supernatant was transferred in SP:SAMPLEPREP_SUMMARY LC-MS microvials. A small amount of each sample was pooled and serially diluted SP:SAMPLEPREP_SUMMARY 3 and 10-fold to be used as quality controls throughout the batch run. SP:SAMPLEPREP_SUMMARY Two microliters (equivalent to 0.2 ul of CSF) of reconstituted sample were SP:SAMPLEPREP_SUMMARY injected into a ZIC-pHILIC 150 × 2.1 mm (5 µm particle size) column SP:SAMPLEPREP_SUMMARY (EMD Millipore) operated on a Dionex UltiMate 3000 UPLC system (Thermo Fisher SP:SAMPLEPREP_SUMMARY 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 Mouse CSF Ctrl 1 Mouse CSF Ctrl 2 Mouse CSF Ctrl 3 Mouse CSF Ctrl 4 Mouse CSF Ctrl 5 Mouse CSF Ctrl 6 Mouse CSF Ctrl 7 Mouse CSF Ctrl 8 Mouse CSF Ctrl 9 Mouse CSF Ctrl 10 Mouse CSF Ctrl 11 Mouse CSF Ctrl 12 Mouse CSF Ctrl 13 Mouse CSF Ctrl 14 Mouse CSF Ctrl 15 Mouse CSF Ctrl 16 Mouse CSF Ctrl 17 Mouse CSF Ctrl 18 Mouse CSF Ctrl 19 Mouse CSF Ctrl 20 Mouse CSF Ctrl 21 Mouse CSF Ctrl 22 Mouse CSF Ctrl 23 Mouse CSF Ctrl 24 Mouse CSF Ctrl 25 Mouse CSF Ctrl 26 Mouse CSF Ctrl 27 Mouse CSF Ctrl 28 Mouse CSF Ctrl 29 Mouse CSF Ctrl 30 Mouse CSF Ctrl 31 Mouse CSF Ctrl 32 Mouse CSF Ctrl 33 Mouse CSF Ctrl 34 Mouse CSF Ctrl 35 Mouse CSF Ctrl 36 Mouse CSF Ctrl 37 Mouse CSF Ctrl 38 Mouse CSF Ctrl 39 Mouse CSF Ctrl 40 Mouse CSF Ctrl 41 Mouse CSF Ctrl 42 Mouse CSF Ctrl 43 Mouse CSF Ctrl 44 Mouse CSF Ctrl 45 Mouse CSF Ctrl 46 Mouse CSF Ctrl 47 Mouse CSF Ctrl 48 Mouse CSF Ctrl 49 Mouse CSF Ctrl 50 Mouse CSF Ctrl 51 Mouse CSF Ctrl 52 Mouse CSF Ctrl 53 Mouse CSF Ctrl 54 Mouse CSF Ctrl 55 Mouse CSF Ctrl 56 Mouse CSF Ctrl 57 Mouse CSF Ctrl 58 Mouse CSF Ctrl 59 Mouse CSF Ctrl 60 Mouse CSF Ctrl 61 Mouse CSF Ctrl 62 Mouse CSF Ctrl 63 pooled sample QC 1a pooled sample QC 1b pooled sample QC 1c pooled sample QC 1d pooled sample QC 1e pooled sample QC 1f pooled sample QC 1g pooled sample QC 1h pooled sample QC 1/3 dilution pooled sample QC 1/10 dilution a-2x pooled sample QC 1/10 dilution a pooled sample QC 1/10 dilution b blank 1 blank 2 blank 3 blank 4 Factors Factor:PBS-1 Factor:PBS-2 Factor:PBS-3 Factor:PBS-4 Factor:PBS-5 Factor:PBS-6 Factor:PBS-7 Factor:PBS-8 Factor:PBS-9 Factor:PBS+MTX-1 Factor:PBS+MTX-2 Factor:PBS+MTX-3 Factor:PBS+MTX-4 Factor:PBS+MTX-5 Factor:PBS+MTX-6 Factor:PBS+MTX-7 Factor:PBS+MTX-8 Factor:PBS+MTX-9 Factor:Null GFP-1 Factor:Null GFP-2 Factor:Null GFP-3 Factor:Null GFP-4 Factor:Null GFP-5 Factor:Null GFP-6 Factor:Null GFP-7 Factor:Null GFP+MTX-1 Factor:Null GFP+MTX-2 Factor:Null GFP+MTX-3 Factor:Null GFP+MTX-4 Factor:Null GFP+MTX-5 Factor:Null GFP+MTX-6 Factor:Null GFP+MTX-7 Factor:Null GFP+MTX-8 Factor:CAG-GFP-1 Factor:CAG-GFP-2 Factor:CAG-GFP-3 Factor:CAG-GFP-4 Factor:CAG-GFP-5 Factor:CAG-GFP-6 Factor:CAG-GFP-7 Factor:CAG-GFP-8 Factor:CAG-GFP+MTX-1 Factor:CAG-GFP+MTX-2 Factor:CAG-GFP+MTX-3 Factor:CAG-GFP+MTX-4 Factor:CAG-GFP+MTX-5 Factor:CAG-GFP+MTX-6 Factor:CAG-GFP+MTX-7 Factor:CMV-GFP-1 Factor:CMV-GFP-2 Factor:CMV-GFP-3 Factor:CMV-GFP-4 Factor:CMV-GFP-5 Factor:CMV-GFP-6 Factor:CMV-GFP+MTX-1 Factor:CMV-GFP+MTX-2 Factor:CMV-GFP+MTX-3 Factor:CMV-GFP+MTX-4 Factor:CMV-GFP+MTX-5 Factor:CMV-GFP+MTX-6 Factor:CMV-GFP+MTX-7 Factor:CMV-GFP+MTX-8 Factor:CMV-GFP+MTX-9 Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- alanine 293750107 118751877 151312063 134198669 204871979 183641683 264384033 139067891 119496293 391598530 185701214 158779418 209675684 179898623 127931728 292923954 190655007 229277988 235188231 291993363 285691372 160100814 139974987 223841594 146737380 293623129 403825772 438078741 118959373 162126128 214318042 116307857 139398398 253006490 250470516 162816726 206330998 157962340 114794056 114658557 93895045 159226231 118115682 121135692 268005513 138614580 106979181 179796573 163104452 97365188 108175837 227389933 92720817 109237516 192744742 282369750 155737165 287551221 195820891 179442037 256069020 80238748 245857850 178529114 201793830 200653499 216930634 211321480 204543991 192194218 195905894 59578890 31517156 15682391 17802325 N/F 107339 195489 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 Glycerol 3-Phosphate 3977167 2513451 2929387 3197371 3637085 3114025 4122866 2468893 2780247 5673725 3060366 2430836 3405156 2737928 2447629 3354086 3153555 2427191 4997977 5064569 3625011 3258213 2325440 3540640 3220916 4499640 5263854 6266734 1810885 2710828 2953880 1933113 2369658 3792472 3451733 2428201 3220456 2425959 2451691 2056454 3390133 2903445 1978021 2574558 3669560 2452368 2223896 3313833 2705037 1807059 1881161 3195754 1426264 1927079 2928094 3422495 2945515 3514198 2066206 2020608 3919413 1542437 3375434 2960122 3119011 3264287 3200545 3382640 2999134 2986391 3151065 686289 439803 74907 184052 N/F N/F N/F N/F dimethylglicine N/F N/F N/F N/F N/F N/F N/F 5434922 2867568 N/F 1975200 N/F N/F N/F N/F N/F 5453890 4977399 N/F N/F N/F N/F N/F N/F N/F 4959873 N/F N/F N/F N/F 6180642 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 3867038 N/F 7007401 N/F N/F N/F N/F 2868920 N/F 1693873 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 2253744 N/F N/F 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 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 570737 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 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-oxopentanoic_acid 2116829 3427887 3209062 3309075 3036223 2825153 2351389 2848456 3852571 2139481 2399495 2587728 2776911 2499642 3864926 2497966 2573055 1658368 3277107 2273162 1890658 3987923 2312847 2175897 3155852 2460905 1794089 2078452 2595033 3091949 2427600 2520456 2573838 2756202 2887196 2833125 2504761 N/F 2987409 2332394 2737789 2212747 2812978 2672682 2053483 3475918 3115486 2454234 2861459 3702014 3422924 3217426 3382588 4137780 2958275 3028320 2972011 2189892 2478431 2508164 3426692 3307245 2693524 2949734 2773684 2650828 2701583 2642532 2549098 3364096 2456098 N/F 1339616 1274450 1656723 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 histidine-13C6-15N3 558005257 854878250 965715261 955194652 911208182 775443323 703853465 904523871 842316535 525655869 782637424 674264596 593146667 756796108 841687972 621766003 662198722 607350066 677039473 626373671 572175554 934908752 800238679 798064668 929711904 684434885 613522728 547946889 1023436604 883667103 801919462 896780706 704488610 634712317 687453959 737670748 628234822 665127502 861908376 900332732 393077420 918305257 883489195 820626644 550077012 758361164 731937081 580247955 651172176 741244424 798564738 780984698 731451138 819910192 723072732 615315620 725685381 618326542 815870215 754319650 593802743 733449012 595001585 649803781 759336373 774722231 812524712 754388348 739731737 708521162 709207017 272653368 151788509 78659890 89877246 N/F N/F N/F N/F succinate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 34013227 N/F N/F 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 6325308 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 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 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 1465640 N/F N/F N/F N/F N/F N/F 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""" 6246874 7068931 8128492 7152169 7684151 6829086 5254771 6577492 7037198 6836457 6703805 6774409 6847362 7028431 6722582 4713787 6554327 6133255 6981722 6329675 6312466 7964364 6213834 6690932 7568080 6682851 6728381 8196433 6792102 6733310 6826859 5926403 5330048 6120222 7723832 6282452 6223473 18670921 6049531 7226527 6675396 6685853 7323673 7547914 5921462 6167206 5354077 5961836 6389770 5262616 5927460 8303849 6427046 7619232 6624286 7491303 6455366 6108642 7032159 7198064 6012705 4960860 6994419 5974540 6874331 7619061 6495285 6350967 6958577 6240220 7130391 2394928 1654209 682606 806262 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 65131 46424 51826 153878 57732 73488 73264 30751 152897 N/F 152451 82183 32534 96663 106221 N/F N/F N/F N/F 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 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 xanthine 30683258 16197938 21619716 15991118 23326755 22816360 32928244 21087841 16149948 50820981 23078549 26916410 29233177 25104177 11503362 41038490 25716760 32803303 35936122 50026665 52241522 24400960 21869575 27502327 23334494 48499149 52691992 68381714 9663391 22042333 29794464 11592875 21017934 56446181 63373339 23974974 45379930 228041794 14509674 24968509 54360524 33348972 18785256 34211575 61148711 36683868 32741030 48218336 21025780 8305400 12664294 31575526 7959188 13361412 31338890 32691537 21482237 40306424 25386702 27417916 27349520 9492638 40054049 31346181 31756672 32523537 32838841 30295484 31508430 28330930 30834864 15152589 12751441 9701462 8103346 N/F N/F N/F N/F propionylcarnitine 17541919 3328802 6043115 4364415 7410280 5751664 10064015 4654034 3556604 22520153 8602978 9059784 10696480 5988416 3639337 10794856 5747157 7663618 12921121 13266337 16865987 4252085 3040629 7788059 4590003 15438303 21911083 25904004 3520189 5854349 11335244 3948079 5290802 13339796 13918399 3325032 7587339 10239521 2782119 3487313 10975821 3658114 3511169 7060334 18031961 6744246 5625717 8543930 4596507 1399324 3573009 8942772 1567955 2996228 6031889 12074807 4924939 13457368 6019231 7954659 18813054 2498654 13896200 8185290 8272803 8187067 8782843 8635173 8877451 8907999 7255118 2664159 754977 1125537 1169936 50646 24215 130825 48595 citrate 161849253 81888859 118912757 150016964 154515790 204974879 121333482 111273900 154643879 176687464 241630772 185050960 241577237 126708932 97075838 201504449 132960573 152526120 224199176 203034297 216951785 118336263 92593630 112569160 121644725 187025848 164079878 175426249 123915250 167228530 175750303 130661482 128903979 190930783 254986144 109919344 137875810 29973543 179607071 174223474 312933655 143798669 181748423 177191882 149931221 238619133 197391290 134018209 209691161 196078601 137747712 149780941 173931964 150674893 235656874 222118505 149444811 201575167 223666414 194639103 116356889 57330836 185308548 141118983 182663822 183818817 184236449 187405750 170640826 163097693 157236787 23216401 8460682 N/F N/F N/F N/F N/F N/F tyrosine 100883801 73448976 181874079 103048828 126482620 79859830 100922788 160364135 100405859 134570415 98502817 61347831 87511073 144301806 79565880 102695409 117366908 109158776 73356861 87209409 43268973 136118960 72798927 142121123 112446568 109923069 87189141 125901494 90113243 77081186 84799750 72457547 46156558 85607315 48477721 98670291 60251680 34782373 94722176 80016640 89008415 79286074 79716678 57505282 85989114 59797341 50089733 59592314 88319597 57229221 47942869 108548792 44710049 50085859 138382126 121157680 88594966 110598577 84406283 51640808 106804219 50501865 78340733 56809021 86162268 109427561 116508077 81515073 71826948 72630741 69288105 12586654 5945193 2381040 3171525 212777 N/F 291055 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 phosphocholine 164289495 107986426 155830892 124541093 215378519 157906580 204867139 133775542 111632325 198638614 100558900 86833107 108608100 123540141 53092145 131528625 128568926 113430510 159519736 178866157 104677604 153485158 118159330 191051590 137604493 230704073 120976269 271508055 92444534 125591069 125396327 73104893 83102553 107715141 147068388 107039545 120119225 53056403 106790435 95921558 133663058 120873470 81672631 84426610 171247947 94009583 77362753 95471661 82940207 45616783 66671936 169183453 41648492 71560534 108910067 113178205 105328562 108222883 99724367 73370628 175663043 69188575 108700768 89309410 122585044 148260661 153232705 139446861 115833993 103288823 111994026 17447618 N/F 3341874 1254760 64230 N/F N/F N/F Itaconic Acid 1329134978 1069399960 1373010960 1321050763 1305347777 1230641623 1318327143 1221089144 1280887844 1351372496 1370543857 962282454 1274670867 1280810398 1362799873 1268805649 1351717015 1197583347 1231052829 1311009566 1042466831 1356771461 1080463198 1281128350 1203009002 1187475539 981973424 1157568849 1217117745 1253734600 1194400456 1185733400 1311570861 1241044235 1167989286 1222802141 1087183074 98885412 1177744253 1284129732 1269680733 1189069068 1242941286 1057507837 1144486548 1075371397 1018991194 1030954922 1177552516 1048206278 1110929852 1064042119 1007309803 1177973967 1232869127 1220778599 1000924581 1174995284 1167724868 1094434464 1178099805 909553614 1092208816 1180871450 1101687551 1139753786 1180387645 1191610830 1219997885 1194573450 1149479545 471079870 320453482 205887703 205669186 2147069 N/F N/F N/F 3-ureidopropionate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 743998 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 3620803 N/F N/F 1999339 N/F N/F N/F N/F N/F N/F 1005036 1039790 980920 438133 3356968 446593 475797 1851690 512525 1244952 507736 726126 1360161 160349 2843691 465372 55686 N/F 530581 N/F 184014 N/F 209007 N/F N/F N/F N/F N/F N/F N/F N/F N/F cis-aconitate 3617670 7887119 N/F N/F 5157421 5711974 N/F N/F 8598430 10306946 12940589 11930380 11288898 N/F N/F N/F 8015831 N/F N/F N/F N/F N/F 5045191 N/F N/F N/F 9644683 8819823 N/F 5304063 13422592 6115098 8524431 N/F 16218203 3261912 12954554 N/F 15569077 13179766 17890551 N/F 14565291 15994693 N/F N/F 21616183 N/F 15578157 16653638 13484514 9638485 16736193 12695503 13326048 10277061 17887591 N/F N/F 14437309 N/F 13912662 1744333 3916570 15179038 10411861 8523408 12935175 12683672 N/F N/F N/F N/F 1078766 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 leucine 93976294 74367727 132219525 86689666 105182598 73828852 96752956 121309795 99200438 137748011 78224833 87842977 73956423 116362894 79919559 117610617 92186772 112910763 84607577 96096632 91071011 143892918 97237812 142806722 132281764 194062610 142713651 196745627 85434876 122436012 117343005 70413669 60188321 102358922 109911007 114598439 93402263 39569681 82621123 104764858 85571699 72779532 90160684 88264027 100523289 60438316 68515788 52599601 82811021 58107368 53600934 209491015 55813426 36224830 152741290 117508270 108040609 100842854 128860126 98486530 97204327 74697881 111922880 77130294 105799804 131852966 131578112 92174367 86980228 78850414 79085543 N/F 8015633 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 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F tyrosine-13C9-15N 207902762 177730337 345791111 236752707 251389530 198994121 207605249 323152172 225118321 237583252 235915185 156742268 192856449 310175365 213776807 219694272 227231655 275375426 213377272 220156762 155853431 364693719 253204384 362110109 303015026 306559646 173670990 282452857 347808567 335445798 303784612 248854504 194565172 192226676 264590993 300362512 182087688 132181069 334317682 273844396 192434631 225584063 257415087 167754427 179524981 175339282 161026759 139155792 199425740 188995308 191689700 295269144 172953184 200744247 317163305 224365805 225849560 206151283 330460467 201299374 217361521 166815674 193273465 150024759 224803424 284458478 306109076 211561022 189871771 185256138 184335621 34969208 16605528 7564661 7708285 N/F N/F N/F N/F O-phosphoethanolamine_unc 1929917 1188253 613123 1790032 1858685 1622667 2395483 1153290 1671682 1725366 911223 1233607 612556 1133376 1017265 1958650 1687984 1297652 1029972 1420452 1333465 649427 633848 1092322 656600 1681591 2790935 1718606 676532 1834034 1247313 719535 1042631 1456571 1458922 1070103 1285360 1254630 1523939 785127 1315335 759010 1233441 1501114 1335271 1173736 839584 1342255 687932 N/F 653001 1426741 536595 413510 1365453 N/F 867497 1133945 587762 625201 1903787 1106769 1215642 1203722 991773 1093941 1668123 687226 1142035 1220236 547055 157430 81833 N/F N/F N/F N/F N/F N/F Pyridoxine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 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 3755600 7510680 5774127 9019566 6777152 5609434 5443097 7312205 9053824 N/F 4911257 3276954 2792168 4327842 8676427 3569388 3731930 1642154 3614139 3550665 1183127 7606834 4866624 6947264 6881005 3022625 2684095 1672045 5907492 5719914 3052223 6253780 4878570 3273921 3676446 3742602 2921448 13246223 5402875 6205013 4150633 7053200 5992265 6392043 1188235 7413776 5886874 2358855 2921773 6434131 7623791 7641059 5260958 8832141 6186733 2935606 6189283 6260753 6791426 4100412 4157097 8564772 2206748 5269363 5970903 5370116 5823144 5376309 5142796 5295430 5113815 1114573 991967 620350 822214 72364 N/F 82799 N/F 3-hydroxyisobutyric_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 3066365 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F valine-13C5-15N 75737280 61971077 152027658 91961473 102573867 80179422 79201838 147756487 89409627 90361962 90899259 62121235 74373831 141602569 75249574 84460561 85359580 126010341 84853474 79089758 59586331 167997882 119522242 161814922 125061547 127698462 65427075 115422964 148365404 135831102 130014675 100380733 72009874 75720741 105309894 131375155 68910862 80387868 151908553 134178201 76731926 92810983 126530728 62790803 81438427 67145614 68068024 46907881 79246878 71737454 71554758 123404592 69157354 75505217 138059548 85109957 103266636 77450962 140032784 79334157 85904467 74156936 74937685 53942675 93702884 126294027 139320600 80883817 73298138 69276016 66825448 15330104 6920369 3365095 3619157 N/F N/F N/F N/F serine-13C3-15N 28838002 29128770 43170957 38743569 41768296 32517868 29052406 37761748 31476775 27876014 36376122 27143898 27406290 38532106 22282856 29707276 34781257 27371229 29251854 28520245 23729120 40880180 30671323 35760082 38920446 35007958 21869555 28427065 44569874 42688557 36238766 36639785 28746974 27608224 33064777 33161604 28677685 5291941 37333730 39629520 29757414 35932808 36598836 29442934 25194110 21543903 24814818 21270062 27922488 26109124 28200303 32653775 23718674 27766425 34463747 27796772 27607989 24971128 34605819 28062543 25803189 21702135 23053715 23897346 30363857 36252001 34653558 33236194 30260753 22197134 26019284 3105797 702124 101903 N/F N/F N/F N/F N/F Pipecolate 7809161 3238941 5845798 5678414 7612721 3477584 5767710 4930142 6092822 16210447 6301520 7257966 11021322 7236935 3843534 8773345 6191059 9006334 13966365 13730214 13176865 5863917 3985977 4951001 N/F 10773750 20560233 17285218 N/F 4399709 5920694 2755853 3663597 8156555 12101090 5080650 4004090 2412611 3389765 5378984 5492479 4505751 5571410 4565067 7641092 4579031 4988399 2362505 5544668 3011802 N/F 6016564 2793305 N/F 11622748 14289123 5906047 9574180 11142570 6646760 6359683 1795423 8661197 5679466 6904714 8442375 8774303 6858346 6482716 5891082 4725502 N/F N/F N/F N/F N/F N/F N/F N/F taurine 143216039 43518372 45855418 44233813 83251030 57298207 109544570 42020156 44965707 177934239 65420654 74378123 112624882 63754521 33497542 124322171 66009113 89405926 102448151 130546977 112993506 49150807 41773367 83753426 39238548 135176169 209865549 231195172 40979297 59979929 85349410 43608264 51480659 125273840 93529455 53557157 78528168 370764955 35235903 39013843 62894497 58246264 39791740 43489527 119879639 53315987 46865481 89423110 64967473 33625338 38830458 83755001 22910831 38729476 61033869 120120404 54862120 127900078 79587695 74898352 142000786 20427495 108646906 81270711 81460768 77064990 77949264 78842755 79431855 76678669 81243446 23885594 15501843 7059477 7334588 N/F N/F 111592 N/F proline 81361198 35342608 64858484 49101514 89817472 68693034 89532425 61902167 64428553 174095888 89950900 79111743 104820220 105994290 56226666 155705611 106254387 129596204 112595865 167674829 143566029 81515279 45462203 66743006 83203540 128361801 227035422 223420091 53424158 84213164 75688565 58257146 38106036 98119355 117526785 70897774 74349055 41926050 45833376 43235264 92234152 38018290 32791844 64466077 106270318 51557214 41622364 87755196 88618878 68437097 51225572 139186465 55337190 56628079 152200131 144341462 83609433 152183218 137155628 87314691 140065463 44245470 212724033 73629161 94607696 110730246 114031819 89039440 86000065 81251998 80333669 18611951 9475777 4087798 3865051 N/F N/F N/F N/F 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 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 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 quinolinic_acid 1154215 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 1375642 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 518489 909974 N/F N/F N/F N/F N/F phosphoethanolamine 2285842 1767499 1773632 2362164 2816613 2507454 3211717 1509966 2112367 2694078 1454395 1258971 1654923 1770374 2275835 N/F 1899050 1570052 1921498 2385970 1810011 2014265 1227260 2010806 1653603 2185745 2569762 2914569 1376022 1980484 1596450 1352315 1614806 1778528 2042339 1916591 1768767 913941 2301454 1600769 1915053 1806205 1460982 1589391 2568738 1517493 1264498 1653600 1424234 1241660 1458583 2115613 870909 1430797 1419245 N/F 1389120 1673367 1574788 1280334 2360653 1127942 1522068 1706004 1653890 1840921 1997567 1807237 57509 1761580 N/F 402578 81362 48792 N/F N/F N/F N/F N/F cystine-13C6-15N2 306827 567495 618688 561266 127492 902475 N/F 1902731 2062742 191095 32192 1335727 70093 1469052 N/F 146775 406042 4109187 744955 285389 261693 534906 4014534 768343 661674 450856 821942 1068657 762578 716500 1145699 1242621 264393 1240755 628192 1948287 1321941 12155892 1770882 976160 1131890 1152993 1443627 1648289 3410777 983373 4181676 1156918 556712 686539 481993 642794 2221579 75509 688171 323881 3755989 93333 560694 2078643 673865 1712432 426109 1422947 1224492 908746 629820 330388 196460 89474 N/F 1705032 1942253 630787 545954 N/F N/F N/F N/F cytosine_unc 224870157 162264997 257749920 187229957 231222603 194945478 226453465 250781188 183087325 322461389 204704939 192005893 253042662 264549502 150190744 265399007 214811763 292049930 267848342 259210871 247299869 288672216 219936846 310530665 244358914 289419011 303998798 369604138 173642987 214974578 276060800 162873967 167825823 240359016 279688992 264144919 236025549 220822751 246511842 239018621 260582423 244129260 227375242 203708674 298479519 208587570 202135166 196682335 147772308 76795936 94203429 219071522 77996333 97370860 222764234 205147476 225609081 223379003 209076537 154523193 168452807 104990505 188113577 177038300 212030225 254717898 252589258 203268527 193456980 177972837 188270927 57320743 24632056 11372212 10965433 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 inosine 189044382 112488171 136724381 145342729 177348485 152347176 218204655 130938681 135522258 264749020 141916486 142531711 188106658 139497902 101032836 214309419 146189300 173208327 170102347 189504472 198312773 145544945 136292093 199070744 132967698 208124448 264136476 293685548 93040805 126138300 155976994 96483075 120477348 181768629 183393997 113322716 144517172 214966846 77601100 98895133 149447816 147295746 93086011 152894094 181601501 120993954 98790344 132357481 101488986 34740157 68102171 137192903 33659447 67268488 123406199 143563561 89311343 127996583 115970445 120835692 142116591 48953472 150449532 144143897 142458070 146127279 141080758 146646291 140653137 140951199 139696800 78134262 60260539 32000184 31195386 N/F N/F N/F N/F 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 2330868 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F phenylalanine-13C9-15N 329653817 341574890 456509179 359597492 383290991 344041556 332415940 446324575 370192891 346052731 366807494 344196499 309406480 434015870 329079448 354164637 338904601 426865772 347848895 347579339 311883080 443330125 433247385 445837484 418893900 432249605 343840288 456573856 491948979 468711531 448226279 421186190 303811391 349760103 423165583 424676948 344486286 320627438 438061463 424791947 329759143 376443046 418643475 362250788 365331608 324539744 356439141 305057954 321291381 327083080 331357799 451649106 352624712 338724394 442748736 363018546 415098068 350792844 441179374 370124577 357586575 362211840 335883089 308313979 393123549 447194309 443556082 366811851 343598948 324460769 320325108 164256934 72108617 27616600 28544917 N/F N/F N/F N/F thymidine 23374 N/F 27771 31146 68278 37704 97710 14990 N/F 73347 48217 N/F N/F N/F 25684 31887 N/F 34473 N/F 57675 43164 N/F 19361 51505 36312 N/F N/F 99641 N/F N/F 32216 N/F 63259 N/F 52063 N/F N/F 139638 N/F 40568 109252 N/F N/F N/F 78168 N/F 20067 36802 N/F N/F N/F N/F 18249 N/F 57567 N/F 45640 83854 53307 N/F 33939 N/F 43653 46475 N/F 48677 N/F 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 104201175 79257030 132626122 112235124 145712910 126339165 132261952 115629394 103651647 139797187 128462543 94467390 116097905 141458558 104844976 147785195 158005544 108713793 105673571 136108523 125924115 138825166 92471206 136832153 138762832 140036819 123667308 156015500 136074506 152728577 145917764 123626450 105459406 102146268 146523886 121471322 108867907 16343774 115828485 105503131 112503094 98263210 95977886 96203270 113608275 74036768 63912910 86040022 129959123 116704924 104829401 167963925 99189006 110331206 189144245 139512775 114041223 141510700 173891574 138455949 153512572 96104305 194001782 93725209 125848277 142055563 138475227 130713508 119253797 113030457 105860924 13621594 4342944 1127381 1365122 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 IMP 51530 258492 N/F 108039 N/F 1013694 N/F N/F 85141 N/F 39381 N/F 1236178 127935 215159 66484 50988 N/F N/F 93294 537634 43835 38513 263734 N/F 909003 1540649 3210912 N/F 276508 39776 N/F 230560 42613 694141 62110 N/F N/F N/F 205339 41317 N/F 543230 108981 528944 26695 29039 2405281 126816 177495 456160 474784 194226 608909 209869 163224 186557 114831 368909 39948 5911181 83056 850315 511551 324105 330320 472955 270288 347984 315021 363087 N/F 22566 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 588856 N/F N/F N/F 567918 N/F N/F N/F N/F N/F 491264 N/F 566488 N/F N/F N/F N/F N/F N/F 1234575 N/F N/F N/F N/F 698133 910893 N/F N/F N/F N/F N/F N/F 1377704 1357259 N/F N/F 480920 742333 N/F N/F 979451 N/F 930931 N/F N/F 2149711 N/F N/F N/F 1368752 1116012 N/F 678383 547070 972846 659432 N/F N/F N/F N/F N/F N/F N/F 255878 N/F N/F N/F N/F N/F N/F leucine-13C6-15N 215297438 208540342 353378087 263145760 271553503 245570178 229567923 326183482 278232648 245276694 273483630 224398435 198876380 319529828 233428931 242079849 235773019 295898036 224750824 219804810 191134606 364741387 272640861 308512622 331218610 321224723 221024470 310679236 357231025 320262855 315055705 306227738 209867574 230129991 286916539 304392781 215250493 106257972 357018573 343905706 222894926 223479051 305901667 242541781 234952783 188879385 181938038 166559517 207619380 201989250 208919113 309493182 188757302 209844361 332379307 232819127 229685493 209805186 331330778 246714768 226813369 204461376 219252418 178887291 297785812 313766902 319488213 191639149 242707871 215751781 204602598 39101068 22006394 7776808 9546445 N/F N/F N/F N/F guanidinoacetate 10421886 3058661 3609212 3473280 6035548 4732571 7377335 2981617 3256944 16498437 4655874 4251484 5766270 4504932 2760960 8256301 5629390 6622328 7514161 11874750 8863015 3751517 2612384 6450268 2990792 10159713 15714446 16486563 3021361 3390309 4681284 2960267 3129038 8615473 6240579 3974069 4999247 1525746 3602988 3717570 6921566 4110015 3216871 3621962 7760447 4831200 3569848 5699886 4231533 3744222 3607344 5585422 2851706 3685286 3739402 8238364 3762120 8743789 6275706 4713156 10313240 1859618 6782131 4738873 5160842 5728902 5775921 6313440 6038538 5430236 5285593 1295288 506983 170995 211346 N/F N/F N/F N/F Methionine sulfoxide 16913093 11530542 24113322 11571782 21165183 11408661 23420553 21911725 12787470 17148450 13966581 9699942 10376138 19472434 13930382 16731878 19420217 15159428 17346004 21987168 12278228 21740233 12449094 17778150 18116054 26386669 22617330 26628295 27568364 27634264 15942102 18661418 12162103 16451626 44296067 25381450 17564975 11327220 25845868 24300361 18981085 14067074 11992183 13819726 22094647 15384598 11159172 11712214 16248060 13965112 12207962 33552156 12497393 14530199 33904536 19983666 18173398 18615049 19930294 12897228 20501737 8960847 19309846 10790736 17352438 21832981 24337739 17652868 15811989 15471417 14462978 2577968 1279731 394991 530953 61004 68477 81665 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 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 645401 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 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 1130628 169840 223304 349533 416259 594850 628219 291816 360316 1714695 603433 363455 570008 566363 214186 1003538 539659 1238753 418619 981195 1154946 67280 339231 723815 119677 906959 1430806 1973010 351931 535115 745180 370307 626323 702867 889749 400516 237343 136297 195833 67726 457764 85033 136071 140492 731676 245513 263521 654052 277254 54804 266990 301880 100927 151648 540626 625849 341441 1233296 744390 590083 1313840 149951 756621 591153 548072 643456 577448 578955 513105 527841 486253 31578 N/F 18679 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 acetylcarnitine 443667436 134591924 191588239 174289074 271055516 208682973 320556758 174986363 162952571 547021067 185819155 218307741 320347372 195781539 170383060 320147439 214200145 240701386 337345376 407316259 466099296 197527846 179488363 355438792 190761532 479420550 624519214 759922487 114076961 207724979 252051706 115182162 180905834 366694864 411255991 207560658 288904737 252235853 115661273 165620420 289977233 195592618 139677022 211925978 491472903 188037192 158906832 317656676 172519001 92974570 126523413 300758476 87244877 128682463 163897760 305468201 179523626 344296613 218036824 242060129 569867051 124244606 363330436 270231299 269289923 270169445 270801991 281768782 269716299 258872487 259108755 75387965 46070141 22039293 21550011 95786 N/F N/F N/F anserine_unc 11228109 4578135 6678314 5893448 11230205 9401583 6488793 6178278 8873288 16837214 5828428 5902938 8655471 6202727 5298917 8735761 7849161 5957929 11141831 15809547 12459018 8227904 6061860 14255810 13081181 24599239 22016838 24945342 8895314 10734047 8309571 17587195 7134468 8987350 13732508 11032004 10822137 7393317 10560082 7885664 10584025 8847521 5893729 9340994 12351188 6386510 4664924 14764213 7938301 9531241 9044860 15557017 8906672 9147326 16757804 10530334 7188305 12354031 19411018 11571811 21797977 6165939 40484015 9488361 12488735 13031162 14036660 11404884 10141950 10123565 10259348 2854436 1108268 331248 341465 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 41836 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 122964 N/F N/F N/F 54203 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F tryptamine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Phenylacetyl glutamine N/F 99891 139053 N/F N/F N/F N/F N/F 334733 126300 113789 N/F 255985 N/F N/F 354962 583226 74578 N/F 86208 N/F N/F N/F 876337 185674 202624 N/F 188107 134465 541698 N/F 110611 N/F 192348 157560 112284 N/F 393639 N/F N/F N/F 86130 58515 994033 N/F N/F N/F 2081630 4230660 7197915 2892418 3060785 2512880 2942621 3436197 4067309 2944276 3515847 4310410 3679195 3012047 2681622 3214244 853156 918035 821385 1108757 1031922 1097531 634673 616884 N/F N/F N/F N/F N/F N/F N/F N/F homocitrulline N/F N/F 1200925 774503 N/F N/F N/F 1011411 N/F N/F N/F N/F 873477 N/F N/F N/F N/F N/F N/F N/F 1093135 N/F N/F N/F N/F 1094764 N/F N/F N/F N/F N/F N/F N/F 520661 N/F N/F 640484 795170 N/F 570185 666374 N/F N/F N/F 2228474 N/F N/F 950979 566602 930692 N/F N/F N/F 683297 745357 1650298 N/F N/F 1623139 N/F 599129 N/F N/F N/F 594686 N/F N/F 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 2714818 2473043 4311792 3434739 4656059 3127508 2570934 3434840 2497240 2496624 3260108 2454562 2219990 3377285 3284585 2785523 3023758 2592156 2881534 2665661 1822009 3952333 3056657 3484598 3097252 2955669 2150124 2860270 4367353 4424610 3729946 3011630 2639153 2627054 3009642 3353540 2508855 646820 3301097 3542766 2517452 3206798 2958853 2926491 2193334 2789305 2283747 1869286 2431321 2280849 2618683 2844938 2013067 2664880 3138939 2437013 2257925 2321707 3595492 2254547 2396920 1907900 1858641 2024893 2800207 3140841 3131450 3546192 3177934 2326558 2416133 150821 15439 14574 N/F N/F N/F N/F N/F threonine-13C4-15N 47273991 59863543 93478682 72963289 78229372 55652863 50072948 86893628 66529346 42731652 66380754 43537494 44433240 73805807 64537282 48890966 55690710 54035950 56278008 49697325 36736010 99386230 64612382 82267326 88028533 77297919 43203973 53517912 108562806 97671657 75409053 72489761 52693544 40374968 55440702 72195807 47457000 45959802 85650290 84771960 54007342 71997959 80599304 50453849 41889643 50460910 42175899 37137239 57524164 56171510 57727249 79050493 50214388 60647986 84128806 54121033 57505613 46956763 87530923 52555552 51401564 46962153 42180538 34187356 58892623 74511582 85777339 60541261 53573901 47725915 48865316 9813713 4326349 1753317 2153941 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 gamma-glutamyl-alanine 3292992 2724976 4104084 3739398 3821314 3377394 4528737 4906914 4946874 3787420 4203799 N/F 3260927 3548108 2945243 4232212 3559227 2710722 3367698 4903248 3862210 3273380 2684201 2978039 3289303 2710919 3923560 3319263 3613256 3909950 2879210 2911436 2443260 3539659 3600899 2899724 3374003 87359 5499661 3588312 4921647 2771905 2580917 4354191 3342586 4240049 3982775 4375629 3411299 4184937 4881335 2952527 4860277 N/F N/F 2707772 N/F 5480667 3338109 2587333 4625996 2934132 N/F 3605970 4069693 2803355 2991792 N/F 4266626 2973934 3319984 1071221 N/F N/F N/F N/F N/F N/F N/F GSSG 354302 25803 N/F 84529 195939 38196 N/F N/F 193501 328522 25152 75189 130719 202889 44291 181795 188858 225721 86032 99001 107978 N/F N/F 42806 N/F 423155 782761 1107496 58127 55363 N/F 34671 89868 N/F 78392 509057 242996 363021 732156 524637 35375 105337 495621 1036953 702672 296370 331565 313539 N/F 66988 N/F 131778 145358 22253 41977 N/F N/F 24657 42461 20781 1106169 53825 68098 218357 285000 265448 137264 147599 181800 69263 91095 56485 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 N/F N/F N/F N/F 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 sarcosine_unc 291246475 119506621 154676474 134198669 204415213 182231249 267766866 148461452 122646195 391598530 185701214 157397179 210093536 179905471 127647403 292656823 193789074 229277988 237903425 296017176 287668949 163098241 137444250 218626475 N/F 293623129 405067666 448951085 119257675 163277970 214913032 116041851 139849197 253006490 254366343 164647561 212032223 157962340 115941197 116279659 94737110 163250770 119324136 121579595 265598287 135006528 107250914 181916067 163041162 98317504 107797241 214851548 94779046 121167925 199104908 282888314 156357868 287551221 195288340 177215680 256824165 80324284 250794169 178458881 201793830 203029323 209747512 205644202 208006712 192194218 196061944 59302282 32124800 15774470 17802325 N/F 107339 195489 N/F tryptophan 55755201 36462146 83145049 53884755 61909803 72204096 70589448 81072049 52616360 88942269 54728221 28919777 53158728 100161577 64061233 63730296 78296851 70669036 53349928 43993055 48533028 61932749 53257891 95037519 45544804 51899599 45855535 84446409 35304720 38047808 70147648 31284437 33758748 45469377 94305415 77222506 41748417 20906967 55906837 50692039 56830955 38519533 68127636 48626028 66679679 30557292 26576629 36170658 27979381 22183316 18491586 53028824 15274942 18606660 32952738 36863665 48629688 49463916 26201812 19658377 40421797 26294181 44004892 34422956 47334058 53684783 56120676 41406591 38508309 37521559 39547032 6754651 3614130 1466208 1506559 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 N/F N/F N/F N/F N/F N/F N/F N/F acetylserine 3397048 5396820 3973313 3550324 5031789 3777168 4439371 4152616 3964054 3859444 4170847 4563103 4213080 3220046 3895131 4312645 4533807 3281956 4336837 4557562 4878500 4122552 3151967 4378073 3906657 4300304 5545790 4694270 3867455 5102470 4083925 5364805 4351330 4038600 5810528 2486227 4539833 9131536 3749193 3479444 3399899 3422076 3954102 4597921 4120105 3620602 3400576 3471508 4078575 4611352 3607229 6019790 2588861 4257267 5745116 5307948 4182318 5537167 5523536 5443112 4660394 3565289 5863650 4600281 3764035 4825349 3164189 4653839 4956631 3918014 4165584 2770534 1865729 1045534 1097797 N/F N/F N/F N/F threonine N/F 96583293 174782690 96105536 151625269 N/F N/F 152637731 92570855 88704476 N/F 64467949 57381525 166113008 N/F 124861545 N/F N/F 111443899 126796765 N/F 136319994 106387503 181145946 149622511 130191824 N/F 152198196 N/F 146722696 166054605 114899805 N/F 87378912 352115621 151545191 83781918 88007689 165677982 167651185 N/F 112453686 130168251 87502115 105292674 69953980 64344633 N/F N/F 57150498 50088366 N/F 78358711 N/F 194735988 N/F 125920024 133575255 N/F 83445578 66528823 114601859 117724602 64556627 135085907 153706258 171538859 N/F N/F 85739129 N/F N/F 7490229 2910449 N/F N/F N/F N/F N/F guanosine 50457384 25870814 47204051 38663004 49287630 43107234 61691179 43102416 40457513 62118725 41635926 38002389 45196941 47789315 27567366 53841746 42623698 50687254 44978613 50999178 47408055 45146395 40544868 63436841 40593885 58831059 57401019 69896723 34978705 42797288 49738537 31564925 34080767 48665660 48362412 36955321 40510481 26777510 24029478 32532380 43915624 42505806 26916604 30176553 42978069 29273055 23541289 26283699 29292909 10490479 17823979 40413042 9040307 16436278 37241593 40039354 30108080 36913579 34710607 33845506 27883608 13555217 38144921 34873179 39035503 40626752 41237508 34938550 34408313 35289372 35169554 7793681 4871511 2151846 2086158 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 ornithine 24350929 23450748 40005870 28718230 48462846 30171402 35582988 37144802 30573636 26653872 32148339 24695810 25908206 29933789 25612626 40112210 38959744 27462591 28737523 32824988 20341812 44523241 24920644 33953187 44071292 37973819 32729464 41922582 38379961 30173525 27307854 37915665 16292371 24378536 22443377 36395316 25128073 27690546 24757840 22807117 34943565 24208121 14321107 26853141 29916097 23315379 20962921 24079807 43273518 32570173 24733193 55928133 32402816 22350751 47115494 41503690 34099595 33247991 50532835 32461318 23895692 22565512 66318421 25325405 33034660 41080049 41005742 37160235 30651165 30055048 20042325 10036883 6312915 4078785 2721555 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 622834 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 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 377994 425925 332172 333512 456977 510743 550639 177483 394153 295420 218956 316070 215072 307544 543748 283401 296547 141283 297860 333258 205479 443223 373148 418968 378678 476132 500103 460058 168597 261357 213081 266416 179156 234142 336185 336754 279930 194826 238403 420354 462093 317434 543654 447258 445071 361867 277920 812155 199450 167297 278934 411424 156644 292304 195373 221537 314860 245563 243327 197362 578313 255805 159761 328530 309882 332051 384288 263993 391574 324424 344422 35258 20737 N/F N/F N/F N/F N/F N/F glutamine 7982013269 7143812127 7659864300 8623043956 8488750376 7819555831 8190422673 7273293409 7689968099 9016981418 7980150389 7138095842 7645316988 7903762528 2681104791 8322198741 8238014928 7326337256 8161265537 8211132877 8378785073 8183901446 6995638262 7940600858 8011050824 8285627052 8837322869 8967348555 7816268106 7889285561 7754222175 7230324443 7333059749 7315240832 7707500493 7581130994 7695007887 3071633995 6972342135 7670975609 7096048894 7912495293 7163843261 6291460061 6950018442 6671819789 6075448401 5062638771 7551521702 6695533489 6655820181 7874245994 6802968199 6838195961 8708789010 8672772391 7101368417 8237975526 7597642250 7221020207 7058617020 5965103822 7880169107 6903363694 7750579927 7876646791 7940304718 7908767536 7671139745 7449592650 2052650016 3396211409 2104191503 1103205672 1153804312 1292919 1802050 2131029 118999 dihydroxyacetone_phosphate N/F N/F 1196889 896345 521180 N/F 944599 1082147 1063710 N/F N/F N/F N/F N/F 571508 N/F 321776 N/F 656995 N/F N/F N/F 434801 N/F 534123 475664 N/F N/F 367190 N/F 577722 N/F N/F N/F N/F N/F N/F 71107 1265007 527919 413822 633760 492073 454950 504389 556131 N/F N/F N/F 758451 407137 N/F 541858 N/F 413155 N/F 938298 N/F N/F 270392 N/F N/F 540174 591838 N/F 476133 596091 N/F 288184 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F aspartate 3505970 569052 78793 434320 1610850 1537813 1258651 603571 1126195 5604683 1056567 976419 2065237 1129748 719911 2841318 1830832 1310508 1425204 2787775 1803905 717870 530672 860011 1054037 2464767 6104988 5513155 628445 842844 1553083 1309357 451152 1612796 1262327 2434995 1432574 2791159 542608 986639 1177375 196147 751718 1886659 2540333 694465 562284 582662 1823044 1696981 1046364 2300163 1042806 1465403 2092927 3188583 1147030 3044286 3644338 2523096 2384754 1162384 5373881 2043999 2216006 1951197 1174800 1352793 2051005 1872282 1100262 649267 550187 328164 335985 N/F N/F N/F 180582 2-hydroxyglutarate 1821307945 1423009646 1857810780 1841850793 1848750979 1763610771 1896087210 1735805754 1826224033 1947733078 1892209127 1343200874 1782684506 1822988135 1860576165 1819979048 1815071983 1633070869 1771317902 1834891312 1452283377 1838420669 1514182479 1809607719 1685045572 1683647259 1359476329 1607052531 1707660131 1668353168 1701593262 1715713920 1798765676 1813793490 1632794772 1687431944 1554365643 149125439 1724510944 1791615666 1691135909 1765980863 1704989535 1467284647 1589946293 1567432418 1483464377 1489440856 1649788328 1558543280 1580508128 1528783179 1383764936 1654234712 1659329387 1737802856 1422480048 1658543300 1698024741 1566088274 1679570902 1333353328 1617809382 1587775029 1627273843 1648609028 1695754308 1669693270 1707744109 1662819685 1631915184 717697780 451732625 276112918 267089244 N/F 1139862 N/F 4847532 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 methylthioadenosine 424396 191672 241199 232630 490391 468178 390674 271055 245756 498907 256126 136966 497749 406300 212587 476090 297680 330997 162270 322504 373008 718698 237137 456679 459324 889483 590122 886090 311640 467137 445585 302733 347663 428912 920361 434436 307389 1684701 239069 351092 358610 210327 394862 502394 536410 395111 337490 492452 N/F N/F N/F 91345 N/F N/F 104854 212676 123093 106055 138377 24689 247114 N/F 37677 259548 396330 467886 458523 233169 257919 282117 375329 89879 20735 N/F 27443 N/F 29638 16928 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 isoleucine 33695311 22184910 64691373 30775572 50604923 25093778 17321980 63199260 38201009 54281092 23918562 22248074 21884492 57514225 15167735 32524801 N/F 56911529 25171204 31702669 29354795 75442103 50131120 76007893 62856159 32840283 31210983 93737788 30756077 37151656 46739299 31673251 N/F 24928853 62368113 46102035 35625467 23632872 43760168 50036969 28781561 21843099 33582557 23722211 40837717 19303889 18296989 18957308 24046096 18096752 17069599 N/F 16735238 19891410 51441137 35954108 46074525 33985814 31120862 29298654 28660350 24879903 32077549 17903104 43712112 53230537 63764594 26231321 24739706 27454499 22840483 N/F 1527776 1952777 N/F N/F N/F N/F N/F PRPP_unc N/F 8370 N/F 14668 N/F N/F 5749 N/F N/F N/F 5307 N/F N/F N/F N/F 6548 5308 5609 8493 5774 N/F N/F N/F N/F 8404 N/F N/F N/F 7588 N/F N/F 8820 N/F 5095 N/F N/F N/F N/F N/F N/F N/F 6434 N/F 6673 N/F N/F N/F N/F N/F N/F N/F N/F 6184 N/F 8699 N/F N/F N/F N/F 10614 N/F N/F 5931 N/F 8947 N/F N/F N/F 7069 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F adenine 122190594 680550 114306732 59910127 131394825 77396809 127015958 102102741 74227906 229702282 95322750 117932979 163229794 104531111 40225716 189033269 83464434 156095197 114550559 109771836 178915538 114812118 78190656 165223495 115642232 315714739 N/F 314762392 97586397 118475811 251125357 83481669 63246250 186224441 158415024 92872758 93631058 451079268 41407490 56821230 85393679 70083694 54869291 73250996 142155022 50515123 59934787 79208268 68074382 21900337 36160319 N/F 20097050 2363001 141094224 123077668 89741639 131282235 130522464 89533096 160264587 30502623 181422004 90206208 115285698 120024643 223477185 75574624 84249116 71465245 76162145 23683183 13195988 11930934 10620468 N/F N/F N/F N/F glycine 2907806 1606003 1980908 1310475 3657119 2556054 2248566 1974981 1953006 6019557 2595754 2661116 3354981 2299338 2132379 4339187 3095036 3085626 2722502 4154734 2707322 2960984 1126723 2101307 3290462 3480456 5978796 7227585 2645742 2953143 2619000 2629676 1497619 2432202 1987768 2620910 2360361 282147 1433506 1831316 2488791 1285802 1355315 2167139 2882377 1167516 1014102 2424188 4892961 3314835 2973578 5116611 3055899 2986133 5434531 4804736 3454048 4040181 6389913 4382356 4850092 2884985 6355539 2250119 3455961 3221953 3828814 3798437 2950320 2812690 2614058 266143 33342 18486 N/F N/F N/F N/F N/F 2-aminobutyric_acid N/F N/F 15152280 N/F 10813330 20838826 N/F 21776052 17814362 N/F N/F 16943888 N/F N/F N/F N/F N/F N/F N/F N/F 20885414 N/F N/F N/F 10479476 N/F N/F N/F N/F N/F 15946863 N/F N/F N/F N/F N/F 9554007 N/F N/F 34048405 12116755 N/F N/F N/F 20670328 N/F N/F N/F 19333948 N/F N/F 31783108 8379526 10852761 15847212 N/F 8375410 N/F N/F N/F 10274702 N/F N/F 9290837 5529176 25298239 25427672 N/F 9984135 8337716 N/F N/F N/F N/F N/F N/F N/F N/F N/F amidoadipate 137669708 96509817 123588286 127720616 125983904 143330237 127141190 117948479 89536189 142162627 143317238 51617885 142817594 100284313 165813847 139623060 129795232 95700325 117572437 142230107 103005113 113004396 102548015 109397151 86879683 108319656 82884226 87185927 114591905 113309247 82201355 78596765 142602142 60887600 73270351 94467935 76489587 N/F 85024364 79764687 113601987 97388630 82539219 N/F 71273864 108647532 57543865 117597405 95726448 100407648 105239551 85939001 75186479 105650627 87490891 79731356 73584189 92845648 84394383 58706572 100475648 61094803 95006832 51369368 70052912 88023927 108260902 100432548 122690331 118903394 130683296 8809368 1840815 N/F N/F N/F N/F N/F N/F serotonin N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 73629 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 355448 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F guanine 79376103 37894753 75084717 43449630 68062180 90069982 99418026 60228726 51975393 109695484 76071798 59400827 75238377 62375029 42571481 60285031 72368331 73851917 88030667 93545051 98279833 113930547 83085676 136473046 91513176 77965122 112036174 79644826 50552455 78526213 100308290 61528227 66249429 98347708 109282927 59779354 73560933 208701476 52475796 66660891 114504558 71783911 61030212 50037283 56996090 51112787 58905351 64388665 56305056 22577821 32456777 70490569 22841015 30809051 73119519 63685996 129449177 66046558 67901235 55437858 65207436 34072021 71182625 71791707 66019969 67756898 81857938 61675703 61676427 56986181 67906873 45331352 32156885 15193575 14888995 N/F N/F N/F N/F glutamate 10676280 1346199 586320 N/F 1195504 1962254 4009903 N/F 745139 15180024 1734530 2985787 4863525 1672236 1152872 8265611 1541814 6314784 3014589 7521144 7830461 N/F 429163 2730681 1024865 8781622 18220754 17208138 575355 1335177 3637515 939098 619712 5561741 3486130 2079509 2228894 4937259 887262 967723 2234836 360334 1097372 1863453 4664735 1334820 1031291 2387740 1190670 781240 737233 2385121 N/F 808083 3227664 6505114 1578208 8457629 2601561 3230026 5262713 293123 4805833 3320321 3637604 3778245 3607399 3317013 3154186 2932748 3284316 1822459 975488 467951 612054 N/F N/F N/F N/F methionine 123366810 72198494 313328450 134947441 170422444 110054385 174986580 289879599 135210740 186918652 162760379 88874988 116615476 281793847 103772596 172613785 184715841 229568443 181353100 200002966 84163571 228851677 167747756 259531511 151261095 240992235 151098302 193818356 277610497 188220144 205348586 185567002 137198797 180023910 213739006 321403795 126870436 104995102 359593225 348136741 167355164 160891826 193062722 93313742 225703011 146942518 128576038 99892308 118825790 102345862 95876230 166885655 91159031 99347081 269246213 155163229 138506767 141617490 138819099 85501322 153828675 61364762 110270527 82394627 154158735 197591653 214351056 132104791 120207202 112706296 115550739 22749652 12370384 5895039 6097340 N/F N/F N/F N/F valine 54055167 27738831 59388566 35901060 48192954 39133025 35424696 51096273 61109485 45744496 53521730 38313530 51576598 84812655 49355160 57709034 44296409 57273573 45121135 40100921 60331418 56383822 46744953 71460688 48400524 63757913 71241443 95376450 58441130 48306911 74672927 60630134 20925107 34068370 59460765 42801186 43803599 39511010 47717443 56653891 35848833 32913268 35854264 27590912 39993321 N/F N/F 43617712 44677497 25234567 24797071 53100270 37974509 35961420 61581273 46766347 52220148 42254612 44179579 48157374 42169198 25124565 55668266 22563340 40272011 48583344 84764345 29505577 43374677 28066724 28371733 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 355956 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 256296 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 551875 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Glycerophosphocholine 280761822 114454984 186852570 154575959 224744758 242228092 238028394 163367093 140559255 177416587 101410000 127387782 104791844 157579018 188320758 146657441 158511452 124551724 160576801 212625286 154058607 131693561 122619803 235340538 127792167 285164083 322919281 419160687 115804768 196889571 122857951 110440047 125122652 138982450 200254162 178722731 138817074 81985455 117558368 158468315 210971936 125948594 110030975 165950320 182209419 184780352 143125002 170991217 89521652 75636263 106554397 149464694 70405440 116376075 121152186 145317288 169627835 159439953 186359584 126632478 526187694 92188886 156952397 137272714 180308906 195995546 205287037 178436935 171742850 160654195 160019354 31057553 15615482 7561490 7618905 361399 N/F N/F N/F palmitate 3893838 1731714 1957093 N/F N/F N/F N/F 4227663 4795775 N/F 3395801 N/F 3774022 N/F N/F N/F 3747478 N/F N/F N/F N/F N/F 3358712 N/F 1422386 N/F 1522258 N/F N/F N/F N/F 2377303 N/F N/F N/F N/F 1984136 10446272 N/F N/F 2541906 1341239 3625981 3105603 2010537 2402930 N/F N/F N/F N/F 1457188 2296742 N/F N/F 1754050 3695535 3650521 N/F N/F N/F N/F N/F N/F 1732328 3100754 2866403 N/F 2154807 N/F N/F N/F 2229191 N/F N/F N/F 3436923 N/F 3699634 N/F ascorbate_unc 35468149575 89135406264 99883418007 96361476492 99596757372 94786400981 94437955269 94613993531 95028427467 93056864718 95101261242 97476695204 89705298841 99322505704 75963636190 92329390459 94962737938 84981860278 90049761392 92148892869 70083811874 94256726803 86278367957 91451250314 95214551140 98989753513 88871757328 93597857613 93548985383 93475448654 95766704521 95330739733 88486169228 96956576798 96080622040 90848730727 96239605109 N/F 91109412889 96753033895 89620326200 90877238263 93478563357 95504733263 87946608505 83420657773 86248215497 75964847116 86967789492 83541679660 83667352085 N/F 78812635142 87440633071 97157237050 93628635355 86118584338 86509593299 95649495621 94947616075 82792601795 81604085429 87265521257 94108573523 95102042847 93835425799 92542164989 93018837584 91378193000 88275989389 89771577687 N/F N/F N/F N/F N/F N/F N/F N/F phosphoenolpyruvate 1142601 1937257 1792882 1893246 2082455 1574328 1904280 1504089 1689129 978898 1475244 1315630 1553965 889571 1027731 1713321 1331597 1062104 1646969 1175960 518058 1371062 1242253 1356647 1749923 2226800 1477089 2102419 1565742 1459392 1519191 1702515 1369776 1081478 1011556 864043 1236435 69410 1948223 1245479 1207202 1363200 1757389 1321315 1204021 1314467 1085700 1267610 1499472 1782151 1294101 1579410 1496100 1439710 1824277 1549461 1728212 1210115 1334616 847853 1934074 1124023 1523318 1464603 1647344 1648142 1657957 1689337 1481930 1070724 1313466 264179 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 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 819372 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 1736495 1275689 806693 218376 N/F N/F N/F N/F creatine 12115658774 4225326462 5476491189 4896365298 7528501015 6880990433 10028364398 4838244786 4587466298 15832094519 6570154988 7251871294 8909101922 6933919519 4279717375 11328712225 7209018352 9073952356 8864649809 11443023318 11052245652 5540503164 4920873841 8316206283 5415881997 12975741888 16286369777 18863909493 4200304956 6012600427 8475038185 4186851219 5153422472 10353886414 10588373420 6188623270 8870982444 6708221592 4006587508 4649733131 3828466712 6060566532 4607015852 5110949026 11442326471 4858628681 4213412369 6981542559 6153090557 3446448345 3897103500 8092968574 3204201080 3826549658 6926379037 10716924125 6438511876 10970315775 7155226709 7249029134 10295472459 2976772346 9043813873 7223138433 8059525703 8349458281 8264530965 7894785427 7491790945 7323590539 7198461160 2363226929 1474454753 775304293 761681856 1972574 2356198 3018695 N/F GSH-13C2_15N N/F N/F 186676 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 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 8065164 7037569 8750034 7319925 8763408 10215349 9448196 9251187 7688751 7983719 6641683 7243792 7355301 7860273 7588304 8157904 8237769 6962242 10720637 9797276 8432184 9189129 8996080 9668319 8559023 10941962 10439944 11719709 7922538 7525877 7906850 7596440 7966106 11200550 11701970 10035712 10437005 20883157 10139281 10916459 10742934 9490281 9933957 11206308 11925046 8377404 8686794 8041501 5551160 5185645 6298381 8386239 5503423 6238338 7742559 6995991 7050829 8709918 7349216 7424166 9549904 6823141 7604334 8620510 9655163 9882025 9292947 8954369 9875163 8586533 8325489 4634433 3033368 1450645 1478882 N/F N/F N/F N/F xanthosine_unc 324857 223888 426326 281568 440006 352993 357336 289594 272317 575908 343591 419024 360281 361416 240819 513857 354799 329654 335541 496065 450091 285799 280583 436301 238100 456793 548644 718183 291800 347285 357005 247876 322545 525926 531120 288574 398463 254675 202409 317116 432117 357409 224425 328098 473435 243986 223427 357332 268678 197372 214227 331351 172406 309075 331272 451215 240382 372244 413797 389950 349219 248666 422941 354132 353089 338218 345203 304676 280185 335381 330069 103608 47093 9400 12823 N/F N/F N/F N/F thiamine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 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-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 6651187 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 7001539 10002457 7287170 6787068 5575689 6179262 6614991 2988591 uracil N/F N/F N/F N/F N/F N/F N/F N/F N/F 11557691 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 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) 15774365 13473578 17540948 16568536 21364871 18239940 19899424 16186285 15111717 22449814 15809378 13992204 18582402 16417036 15528217 18586877 17660854 15182603 21571807 20996501 25729857 22213575 15438755 21398063 20671112 25397722 25521410 28592418 17200061 20025645 20338224 15667336 15515494 16116606 25273334 18555959 16478543 22281761 12496517 15586773 23048539 18634464 14280439 14945032 20022883 15043855 13768730 14522461 14747730 11451061 11946233 17749812 11054718 11864542 17438169 19909635 16285535 17166814 19338085 17069205 15041160 10406108 17876631 16685873 18277711 19532042 19423946 18879275 17132468 16137757 16484249 6546536 3771824 1776038 1756267 N/F N/F N/F N/F lysine 288384434 196352644 292885834 257512765 357943077 280978438 316323356 283225935 215736938 341417033 241333013 206233878 272185795 302959465 282133983 320500685 320796556 277964602 288360588 305398360 346917735 289986258 251734460 363545806 270882448 363621537 353935770 459332765 257981571 305371144 326907667 199298369 220661449 252626566 359498001 298179227 273056882 283147816 234759030 227702035 345711691 295773414 222406317 253136094 309198296 204304752 166745459 247609017 236892844 164012722 182453052 380489544 175224983 190727551 317648113 293014398 263683588 289869717 284737782 210901041 289895351 186027333 318566778 216486893 263210422 312310444 326719810 301176378 257741045 251540387 251168769 98294751 55671451 32522184 38461227 627688 804891 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 asparagine 38114037 26767909 40362607 33762667 43517913 36256587 44250134 36639248 33002888 50221917 34087392 30188762 35797755 39085847 30907069 45908767 39947633 38085026 38866052 46423654 41762497 30654864 30077338 37324873 32725869 46225876 50691107 51135609 26032344 29195770 35096117 29374617 24786515 34085824 42567304 31931448 31098156 1900775 27025005 28144006 39156038 28094665 27051923 32335085 43016494 28409557 25831966 34490865 29190228 24819677 25099215 38922851 23589106 28795099 38810617 42455629 32414832 41050448 34855229 34837519 43732254 25590268 46530054 32212700 36334341 37571028 38866628 36609744 36304828 33212222 33540747 10127610 3415871 1064015 1306039 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 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 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 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 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 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-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 N/F N/F 196320 N/F 314762 N/F 292554 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 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 61476100 49589063 60388551 49823080 56635949 43603050 66944939 54466720 51423252 82232610 49801123 62828715 65246767 49838788 39279496 72119950 54461979 53903169 62103977 68373536 69999354 44949634 35707808 47154083 39432807 69911120 87960844 91641310 36093689 44520379 56108371 41610474 38308682 85522021 87668419 45965307 68108705 106530058 48220272 55291891 59298759 49183330 52282338 62458623 69676535 50264291 46572704 46152667 40917567 32314763 37921080 57164305 29007927 38146051 59617425 63481599 56326578 70040214 46976207 48579515 49974019 32535842 61144780 58326371 57281175 55768435 56841130 54552094 55697056 53853638 52928062 20091438 14244468 9464732 8426612 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 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F phenylalanine 110518309 97829147 146161367 106579662 115688590 92540438 124242953 141583979 115214814 149081844 113138835 96851903 110007659 138969594 114177745 128268220 121583474 126852916 121020185 130766067 92833400 135658120 124568342 149777920 130507358 154463055 188941090 217708010 97131912 100256886 124218430 89710262 70917536 109564970 95863608 126119483 110144957 84338327 79594768 104440435 109063929 91724259 100293822 102199784 126333237 80183648 78860158 86975978 98757204 81483107 74974326 160329005 79391014 73423574 125784114 129760140 140937841 131872995 112758907 105611659 111415608 100456749 137344658 96330908 120419304 139059496 141178009 112543096 105489110 102665362 96930458 47585401 22775624 9070024 9747185 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 pseudouridine_unc 1387012 1270504 1205449 1270759 1294646 1525872 1779830 1069353 1362976 1735822 923642 1252549 1236772 1351177 1679624 1515349 1304670 1191514 1221694 1551336 2668420 1385719 1429406 1567115 1173764 1394003 1909424 1825042 913444 1524791 1440280 907299 1417347 1351103 2197424 1308873 1773801 5806627 1714570 1589483 2173839 1501928 1688247 2000872 1591823 1180838 1138891 1420958 1086374 975923 1104666 2271488 974154 1229049 1462439 1281508 1360047 1774971 1469104 1423436 1472833 1443860 1584873 1530122 1414088 1597322 1567660 1554861 1431982 1500692 1405649 840437 649646 376511 354658 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 Kynurenic Acid 252641 64391 N/F N/F N/F 678141 N/F N/F N/F 254271 N/F 348023 289302 N/F 462437 N/F 350721 N/F N/F 101681 155534 N/F N/F 125467 N/F 660476 245039 1119737 N/F 186653 N/F N/F N/F N/F N/F 686895 537756 N/F N/F N/F N/F N/F N/F 329591 N/F N/F N/F N/F 1098242 1220127 585494 1935686 N/F 493228 1190837 921442 1155476 924396 1900313 987747 542852 571216 1018996 N/F N/F 1302189 N/F 407115 N/F N/F 550766 N/F N/F N/F N/F N/F N/F N/F N/F arginine 1816097857 1466562804 1714694639 1655824765 2062289877 1622434689 1867584848 1629572110 1535710478 2093289594 1441080127 1463667274 1558729648 1710071404 1378986010 1716104445 1762687488 1597900655 1869209289 1831459991 1430688595 1596748680 1332811718 1843140877 1454677364 2075110013 2287443506 2146529138 1318125441 1356712117 1349210364 1125042598 1065762064 1776849799 1730068586 1738848229 1656318844 1943909871 1461126713 1579708428 1959997255 1827254381 1378139790 1370306456 1672963051 1438246283 1299449672 1243921311 1573113408 1092620366 1202014865 1898550366 1206613215 1227066680 2090129485 1852689422 1640037864 1937462361 1527160508 1321447006 1470883926 1005845457 1515431037 1374153957 1603589070 1762203545 1846110512 1758009358 1555763826 1491052086 1482797881 743661845 486846255 282335087 298131890 10055676 10510459 11275944 9513681 methionine-13C5-15N 257998204 183293090 558516349 333928689 337175350 285296730 278669913 531773139 330527731 354853028 336955701 169876179 261953784 519807410 266033277 297473885 310592856 462450316 303502721 252620080 172685826 567466161 428121107 606472645 381739674 348316304 193442310 315760605 479428260 361564690 443729476 325000525 264328801 249477506 328716531 493919164 183354473 200462000 548878547 497546750 275743138 324638270 463739938 193366758 298884270 228298371 221938526 190494856 237523600 213667978 208975587 300329018 192630059 221685835 332742745 239492955 287949015 226522390 364524293 200299981 256041158 195745044 207978542 152811023 283656623 365297826 391806118 241780632 222283729 205517717 215467534 44596314 22272834 10188436 11648387 N/F N/F N/F N/F sorbitol 16864394 12583009 16020986 15391359 12361884 14909188 9371842 14568684 15259826 7309724 13562378 13888996 13737750 10581964 13309393 14080497 11406051 10063260 16819556 16154473 11075335 19189709 9806959 13876332 10855686 14549790 17500648 13803985 13371860 13128553 12611062 12537504 12267839 15878620 14321294 10397283 13397776 22281905 11960436 17981506 15392799 11518679 12687765 17268270 14166935 16847706 15405295 12588373 13043837 12593209 15851164 12943710 9472709 16043162 18425783 14370794 11213929 13514104 15521148 14889053 9025841 10838003 14630335 14666962 14979475 13261045 14102282 14336626 14473175 14914898 14017469 5546740 3344190 1772737 1475615 N/F N/F N/F N/F anthranilic_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 citrulline 107364614 84299749 112983515 122234340 142655864 125963007 126198719 99791116 114606514 105074394 82457908 79640692 86921812 98250128 78734459 102685087 102465806 76761076 110491147 118560356 96043208 91127182 75161299 108103075 96299846 112353432 106614600 152029362 115985013 80979769 68157642 81222404 58531564 94974155 103559899 120428654 101955667 41959331 99985219 89938964 146650470 102737666 89172389 76031963 104980571 75811449 64086453 95145404 112955537 99144639 82912597 135167543 92545328 94132841 140539276 130021841 104567246 122547385 118913094 97695697 137890429 72419191 133429442 83756551 99581735 114437879 121426615 112419251 102751172 93753268 91615082 21409721 9441021 3472336 1873024 N/F N/F N/F N/F carnosine 180848709 68357455 95930132 94078330 101820610 97775311 125898660 85817603 88106657 285187843 103906542 99166520 122570988 94040783 72267821 155797063 97342041 125251734 187491349 213137894 186221194 101378340 109737932 157858442 100758745 244245102 321504854 268838040 89790500 125174143 138707741 90208234 115967283 140408543 139874382 114242222 138420608 86301691 109630504 75388837 111980119 113075201 73223958 85318328 148958339 91859133 81857136 89465045 110928460 86858346 114730813 141230294 81413828 112430187 182791491 157079773 110984957 193053497 118143406 117721296 150803982 57544548 152190607 124193802 135144274 142428770 134509043 135101189 136324027 123350338 122208958 50798746 25467597 13010359 13172016 N/F N/F N/F N/F proline-13C5-15N 795044073 744717390 1083265316 876788664 958932552 806577748 779531554 974331249 851302064 858888060 866902575 724727450 725596466 1026476652 797731583 796916417 812655730 889864432 818886036 824021007 710622269 1094699910 855474809 1037247772 970160214 990031363 797281310 959228132 1116042090 1080777066 1002724660 917308473 717819337 771652229 935432817 934791809 754999084 688625783 994112580 1000480947 743073529 875163062 951934510 748625336 739113100 683216546 662948296 599853472 752096591 713397799 730587116 968499081 680476235 759759121 1026168743 839929347 807714700 773686342 1020385761 784416502 790054008 642722601 729525609 659976214 838621418 964014703 993784880 827870512 768259333 735882640 725889068 188463713 94553958 41423296 47201434 N/F N/F N/F N/F uric acid 22112354 25805617 36585851 26354037 24948272 24398579 32641838 34332820 26249667 37533405 22721995 25351109 30873764 26202971 35114518 34879557 26121514 26246003 31668704 48932708 49191844 29198523 29445373 27517660 29356533 43742128 33288605 50089552 10441243 22725839 36099552 13799715 20476309 57268364 64149335 36977903 56197404 286796281 41420284 45710458 77916687 45835391 26930180 45395702 62121569 58428741 55976192 71504941 22356053 19236342 25198651 46207890 16221319 25313506 32640254 33873294 25417874 34729065 28544057 26523624 28356632 29868856 36598533 38043272 36937533 37223589 36761013 34191559 34612552 33466667 35592816 19735805 16091234 8724295 8188259 N/F N/F 94776 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 Ribose_Ribulose 5-phosphate_3Me-Lys N/F 42900 N/F N/F N/F 52986 N/F 61239 82193 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 70986 112285 N/F N/F N/F N/F N/F N/F 44819 N/F N/F N/F N/F N/F 49624 N/F N/F N/F N/F 52053 N/F 53838 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 64300 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F C5 Carnitines 11318292 3774157 5149782 5565726 9135244 3986496 6755807 4230374 5390388 14204239 6145299 6896695 7486249 10919572 6868742 6986715 11896525 4588807 7144563 8580981 9989493 4415840 2711601 5278437 4537643 6364303 10300276 12786081 2757104 4224809 5140020 3276962 3585876 7423940 7435124 3353934 4863426 2577418 3855106 2821412 9744904 3015251 2945135 3441897 8486771 5051214 4319279 6167759 5035713 4831118 3742898 6531044 4263119 4427551 5960256 6934853 4671011 11739973 6738634 14109938 10603920 3056356 11594759 6750372 6491877 6520621 6605264 6539953 6459367 5966623 6442752 1951583 1394987 731790 641282 N/F 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 creatinine 40103337 45753954 73820600 37084513 62444958 41940124 62364957 65538371 38468849 62756435 58016309 48616710 37543204 48252866 45113561 43230546 41008359 44974635 50907037 64352441 38077675 47712959 56081597 72355829 44971010 86394396 64292911 73043782 85891858 88508998 63795114 70642072 55623366 52831082 125363450 57092566 73199463 272557933 53359813 90781224 67828868 53204901 70922682 58391216 68239555 51763650 51062288 32632372 44246069 43229112 37937281 70771514 37131868 38034835 71735973 46577164 41341308 46249148 55530968 57992770 48919960 33237915 46276310 43633164 60141869 67627639 68741864 54690461 51380804 50227044 45431825 18777811 17952116 11188527 10791775 N/F 700061 N/F N/F Isoleucine-13C6-15N 167774182 138580601 321735711 186475119 223814227 155202451 149121898 341161168 191222434 196853264 183013960 140290057 153690640 316456650 156070214 N/F 182067610 261489072 175541817 166031959 132640907 351585975 256100658 379142879 284940633 315978510 137059745 261728812 357204770 374157691 297603203 239034690 137717962 N/F 265049308 293687929 162570348 143365268 327768462 301486240 152025643 205369983 305517395 132968112 173800608 136519689 157730983 117970464 153025629 142371435 128765306 283236639 133621638 151999544 275291664 N/F 228846907 155069946 265227410 165753169 157476859 159082863 115935999 N/F 192993783 294113614 315824407 141692387 132238908 137096188 149179663 27648422 N/F 5277399 7280170 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 llmans_opti N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 816664 6411746 5874741 5547578 5460590 5470388 5810858 5696038 4418792 5116049 2458835 6708932 4735792 4629345 7281727 4974221 6378249 5566351 5787689 3423863 4847238 5613013 5222651 5323426 5370799 5101301 6935313 4494304 3512508 4295574 4019597 6147580 4346914 3923141 N/F 5111059 4221822 6555799 6396052 6444971 5404075 6097346 6923001 4690657 7434254 6513560 5266625 5848800 5440712 4416126 6198701 6229434 7928762 6000888 4176369 6047746 6245538 5499741 5130407 5891337 4647998 5399777 7473447 6650677 4843374 7818268 6239782 7992010 6460892 """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 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 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-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 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 62393 N/F N/F N/F N/F N/F N/F malate 24639420 13170003 14752469 12073059 17629971 19175549 21519150 14982610 14390178 42166232 29062684 24289176 37218836 20440965 10010716 34222076 14722874 27874522 28935770 30418813 33210995 14938189 13629721 16370030 13964810 24784658 39554807 42670144 14052989 17078023 23615155 15086857 14672547 24359813 32159231 14494682 19107924 22323500 9210729 13291088 23660250 12248096 13128773 15870451 28225763 16840234 15953472 17694093 40173671 31664450 29745442 38308986 34435830 33293472 48694283 49145770 35615816 57359120 48581207 47193411 42136002 30558163 64129475 29723467 27344228 26025883 21560707 28571158 26167130 24881850 25997319 12108333 7088202 3583281 3640542 N/F 1896747 N/F 1475378 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 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 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 lysine-13C6-15N2 49179212 39791709 60384871 57154589 65055072 51282146 45102735 59404443 47460879 49340988 50563844 43622943 45494356 55747083 50581937 50587842 52540213 50759873 49619533 49351662 43412124 65028170 52614656 60232271 62106981 59983193 48911629 55534054 74302190 69060940 57067283 55465419 45971354 42739380 49750393 52900447 43539822 52843218 60662367 52456741 43769547 56372295 50300873 43938821 43324960 43780952 40055240 40753879 51910396 48616342 49020497 65032924 52024379 52155131 63998260 55325567 47990133 48301410 65604954 47850470 50291981 39908696 48177709 39934645 49567106 57238558 61682200 54968457 48995287 46026675 46627865 15696995 9771150 5704600 6854009 N/F N/F N/F N/F adenosine_unc 1214646827 1412756223 1995463383 1457580217 1942443943 1161446595 1583964533 1822519857 1654660106 917203972 1492044907 1270567549 997283456 1666292933 1134017579 1045991293 1307979817 1098904865 1539277603 1189513400 1072855265 2249091720 1582458678 1951819397 1922875134 2056550476 1142935369 1375158690 2266852114 1689005110 1809769829 1980361923 1022510592 1110868764 1086089220 1374698861 1150493386 2236941579 1089311723 1374304781 768374142 1086170220 1251817468 675767971 612478719 733456383 747990556 425171174 1245003257 878449642 1119861672 2524520648 894968160 1146983749 2078882835 1438570076 1369289620 949397107 1874241079 1334487376 1127665968 1183527216 1186217677 1080652219 1491644955 1653646734 1791808758 1198398560 1131918977 1082979268 1057328962 361504637 199376990 116567978 112255977 820562 1091556 1291106 366294 glycerate 163212913 151602186 167755318 158048338 170367923 156601150 162141138 154238190 165482198 162594281 179533761 159832865 161026433 163153828 171196188 161281635 163795482 128711191 159352955 163678525 151071466 159714258 134030138 166921832 168027738 167054468 159845062 147891445 163907472 163787673 159263612 172552739 150720149 168470064 165350292 145003859 154085012 9205192 147146309 172723051 152857680 152266454 164558944 152426899 137094051 141972640 138329490 121825274 542497320 501623758 526706754 563025069 454754625 553969805 642078486 600842963 514140772 597073588 617750554 592326893 549889418 473424658 565215020 242624479 247158527 234107512 239593322 246951864 246237652 246343404 235030621 79049126 49459096 26327619 24672025 N/F N/F N/F N/F N-acetyllysine 22990872 18132830 20400744 17436529 19455637 18520577 23692063 20046645 18010885 26318069 14925840 17045856 17783107 17583861 18650466 20522601 16830504 20130315 15455149 20584397 19645017 16923051 16102770 16698199 N/F 19116146 25365535 35819531 19020711 N/F 28500134 13725445 15389643 21100052 22543793 N/F 19518248 10890372 14618495 20215928 N/F 18877722 15984799 21848567 21409483 13062338 9865682 13880187 N/F 12103742 12651271 21313727 12062635 N/F N/F 19922356 14393104 N/F N/F 15649342 18950275 13475879 N/F 16852151 16685276 17123665 20059705 18071299 18187784 23814567 16673095 N/F N/F N/F N/F N/F N/F N/F N/F 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/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 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 hypoxanthine 907915533 469557698 595136525 480658658 607665355 691146026 859158771 649572448 491824013 1376388224 647530325 643494928 909457357 694160914 326271236 1109985953 655204766 1174903048 1041436396 1056013878 1031849411 702468578 819096528 1006450616 687805492 1042770077 1330985919 1697652191 435627906 627178361 829007779 399694409 541204651 923504956 1017635140 587874290 695578508 2366318543 296427976 362101783 775731124 699212821 356143251 540679588 1125844352 620827634 608152674 801285546 586870157 209135677 348299209 850139274 242121474 343073244 724524999 733128703 793503147 876064047 673186244 604458969 657429773 339412303 986508150 699816170 775917929 824650444 866867082 709224247 736411551 723704884 702526356 706053445 579133142 362010442 365121420 295478 435719 673728 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 GSH_13C2-15N-Ellmans 4758219 4231658 5474303 5018674 6274022 4509597 5479436 3998089 3982656 5719815 5540091 4011683 4888129 4751699 5345896 5240540 5004052 2788687 4463643 5155083 4231112 4765656 2659794 4489142 4802937 4971709 4496546 4779066 4846241 5454389 4565545 4776701 4505327 4639609 5049911 3902272 4131423 N/F 4136895 4890875 3841454 4101566 4437174 4212240 3209395 3494750 2617268 2985303 3939773 3618282 3687887 4139279 2461732 4765843 4842919 5097996 2653160 4616184 4500726 3746845 3953602 2641170 4242286 3849552 4285044 4593411 4644300 4498889 4377799 4757599 4584778 124636 N/F N/F N/F N/F N/F N/F N/F Butyrylcarnitine 39993874 26110936 26148163 13747602 21913416 18966952 27950107 21986460 15253913 66566115 17195531 17411091 34785927 16528826 26964487 31979792 19087742 21910704 31703594 40988611 52476514 13446788 9735461 24310597 13540438 35048241 51358078 79072561 6692212 15361101 19001375 6970541 13078658 32210814 42890944 10896691 20604137 15072323 5739038 8919412 26767854 12024040 8760933 11688055 39016890 13211887 11685281 22709680 12038439 5623745 9115047 18886469 4528673 9997253 13776540 22503198 14532807 35592022 16859510 20198326 33027656 11656563 31993957 21225323 22811318 22819028 23417992 22525790 23234831 22772139 21915341 6581977 3934643 2241925 2048965 N/F 104736 N/F N/F acetylglutamate N/F 1631725 N/F N/F N/F N/F N/F 2318987 N/F 2697157 N/F N/F N/F N/F N/F N/F N/F 3030907 N/F N/F N/F N/F 2308349 N/F N/F N/F 2799314 3236148 N/F N/F N/F N/F N/F 2118248 N/F 2831758 N/F 633056 N/F N/F N/F 2321208 N/F N/F 2312415 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 4611064 N/F N/F N/F 2470544 N/F 3628252 N/F N/F N/F N/F 2008702 632462 161759 N/F 103222 N/F N/F N/F N/F 2-oxobutyric_acid_unc 30168123 27872757 33308396 32794894 31848249 34891503 31322194 31651028 31012012 30507633 31185193 32278353 27001412 34622211 34382872 31460031 32092074 32644982 32575386 35798676 34869203 33518649 26738537 32420815 33120743 33636429 34210727 30302808 28334881 29489917 31907166 33520558 31402752 32985832 33160950 26191069 34060643 N/F 31992404 34414236 27833536 30180742 30777204 27596498 24883621 30682953 29121655 27299877 26740747 25614842 26054544 33222195 24197946 30318708 33257223 31215975 26854651 28637176 35677236 32187184 27745645 22946119 27488449 29737775 29152631 26082364 27754769 23103727 30109812 30300019 32890405 9919991 536661 385031 686557 N/F N/F N/F N/F Glucose 6-phosphate 489096 645568 570806 725689 634918 846453 682954 546244 643242 575820 325952 322095 458478 553835 741478 397191 627833 354148 468650 737604 491328 650861 493875 806640 352328 805580 1016100 886947 277769 475046 350191 311985 419101 571763 431430 416510 380481 359212 530111 627546 694031 504012 894985 779183 701983 550892 508796 1099766 417059 255135 384001 799900 244744 402439 260358 536869 495890 416514 347598 277602 823886 487639 533039 542117 582282 551460 573216 515691 544296 522845 502363 159997 47609 N/F N/F N/F N/F N/F N/F N-acetylglutamine N/F N/F 698306 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 330519 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 524697 733231 N/F N/F N/F N/F N/F N/F 61371737 N/F 442726 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 578650 N/F N/F 13326318 N/F 4727953 3975535 17715 19130 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 betaine 422039004 240983319 337421233 221903041 393899160 350596384 450413668 294143259 244898874 593686578 401655806 367290398 358587514 389190085 281889921 524364252 440101089 428019459 391223483 535193363 297315899 336701437 266704428 398186358 324224867 544430338 780849035 628270518 249952115 500186705 345611453 272803032 247370178 360929625 726713179 241349116 395390267 225334282 238973520 255029243 260163792 246391678 260759857 384748569 513354621 198905402 192568450 215621303 268703827 213444616 210017073 402382928 149589819 207310794 345015809 427974092 296855776 374126767 329684959 347492986 426482731 202427249 392183108 347157095 380618782 398261351 414115041 342748969 322818667 318531735 333910707 69356099 9029881 N/F N/F 20048673 14393333 22066409 N/F N-acetylornithine 426545 655785 375847 307315 573123 N/F N/F N/F 582140 N/F N/F 615996 127814 167267 252052 645093 N/F 320698 N/F 401814 390824 316103 206697 214919 532961 N/F N/F 722070 320776 N/F 209280 240601 323784 352220 1049868 708503 669856 866323 765911 259593 162238 418925 655692 238998 426928 436880 177469 N/F N/F 239180 202039 585324 302576 121421 380835 N/F 1069791 397038 165072 470226 N/F 516180 292758 692570 256047 364945 537042 369445 623857 156165 181722 151243 N/F N/F 159403 N/F N/F N/F N/F histidine 376195957 428378787 550018395 529882189 608916956 521533146 560693744 505600928 487480674 414917006 540685453 472031188 459256831 513865340 549005729 566640666 550235573 459172520 450209032 405433955 286806096 498536496 474418944 500900702 496190552 485909699 483355084 504927043 569436577 580648808 555337102 555911898 510224380 446148722 348864081 502055162 490663347 451362794 578279287 504889112 327773814 581208351 469476485 484976568 396653570 449861509 375969083 385182121 518792236 536028143 478360878 590558881 522828231 497858416 624547382 555371594 536903977 484485172 553801927 503986393 461633728 444378652 631666631 433215184 524245127 536752015 542659485 529704568 498147922 473093937 482641289 195075871 107547316 52667313 62229970 N/F 2098992 2326732 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 acetylaspartate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 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 670019 2103333 2814419 2768402 2255768 1143294 701903 2486071 3138349 460844 1863802 N/F 1705264 1991540 2424068 N/F 1717078 689601 2070369 625274 1474223 2699948 466973 788493 1866583 901749 739703 N/F 1045931 1645352 631013 2677461 1746044 1218745 512013 1875497 1455647 N/F 3259126 1930302 929645 865452 1908284 1470639 863024 2414470 1435642 526536 1578846 3855456 2353481 1074969 2877383 2234145 1717477 1494543 1271348 765082 2404989 1616674 1265930 1535780 1389233 1873453 891668 1860547 1583600 2118614 1746346 1707155 1399358 1058533 668158 2088782 N/F N/F N/F N/F N/F trans-urocanate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F lactic_acid 2633512680 1665189808 2081356876 1898848321 2439258229 2163524209 3086605754 1873348033 1901813541 3597995107 2270360119 2209651545 2773006407 2094185703 1731702914 3074149022 2342994504 2192959665 2946720053 3190375482 2914152718 2308028546 1697571983 2617083609 2045734625 3313794179 3407012741 3810274500 1451879550 2010622998 2442641285 1634833375 1892880737 3058130258 2945537114 1810004816 2575132031 3809956429 1332734377 1573801229 2520663904 2032010461 1443310776 1985750123 2563435570 1983399201 1676999291 1961882343 2160941380 1280095359 1665674873 2757317823 1121533065 1717829974 2483626774 2780061953 2415249064 3454459338 2254362010 2428605162 2333307448 1150767480 3195932881 2342726667 2363093705 2281343867 2322285126 2263914395 2388971627 2316282122 2342322148 1006111289 625611644 346289398 334452012 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 aspartate-13C6-15N4 6565880 5896251 6128802 5538360 6924256 6679106 6026073 6287037 5783465 5775033 6161633 6124757 6218073 5190473 6481644 6528736 5410026 5799382 6415502 6659138 5986876 6478905 4892003 6157981 5454161 5852027 6724905 7167909 5606297 6051077 6834082 6530413 5806221 7100645 6544092 6074191 5617422 20445512 5992340 6577456 5723915 6132526 5931383 6399126 5825486 5426164 5493286 4547485 5699896 6058910 4849877 6561406 5808873 6642087 6697892 6672086 5319281 5590999 6211742 6673780 6159977 4301118 5609021 5887253 6959722 6258628 5652076 6301420 7245901 5449602 6554576 2348844 1266684 611579 481068 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 GSH_Ellmans 4544001 3587789 4436037 4666856 5531758 3937167 4490107 3791469 4435338 4943654 3632967 3555565 3712802 3900113 3548207 4221793 3909980 3074223 4150021 4830550 3991008 4246718 2793421 3703729 4172577 4506302 5346053 6040670 3738940 4717460 4383274 3813058 3792471 4274360 4588159 3364634 3813460 N/F 3614294 3267838 4072573 3101320 3208106 3339286 3341365 4132389 3530607 3244599 3499521 3103589 3322293 3377253 2511081 3521241 4099792 4186749 3480252 4391611 3466925 3173499 5126438 1947001 3357664 3702474 3848495 4179294 4173251 3918255 3634283 3670402 3644948 524533 88884 N/F 44503 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 112995 N/F N/F N/F N/F N/F N/F 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 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 21338 N/F N/F N/F N/F N/F N/F N/F niacinamide 156217440 81599018 176036961 200640158 221571367 135106189 134705579 164810182 250646164 191076818 125180833 145124761 142804199 103523402 115167231 140953213 71601853 171377944 105684948 170916667 177291650 533262090 267227864 369898978 485989206 257789724 153835476 421030581 280315609 300176826 201216938 256843717 162212909 102479227 278149831 203670358 158943418 428577538 39509644 307832789 125425060 111868687 187626792 127337230 110919180 74729245 80375759 90201126 212197243 156265246 115089772 330703255 147951300 127942627 246511888 150812584 164463220 171871989 256427945 208749807 144690728 153279950 154669934 155497027 213435378 238131161 247451616 150031702 139905007 138704960 141270804 50969364 31358510 15587515 15261744 N/F N/F N/F N/F cAMP_unc 3613516 2401705 2682020 3027349 4368191 3103438 3008591 2534006 2976632 4118524 4561334 2986469 5594585 6561752 2467119 5152438 6524440 4182588 3675178 3458938 5862722 5388897 2987986 2282961 5012665 3298646 1193259 2632620 1660247 4150843 3548599 1689274 3404257 3828530 3871114 1727717 4336305 4875032 902786 1642393 3452715 3487614 1464228 1668389 4420214 3048731 2579741 3624239 2076313 1450430 2293352 4534755 1135981 2048138 3696711 2244950 2390765 4369585 7542683 3300436 2965173 1241409 8078768 3069184 3418278 3463964 4163904 3317650 3781253 3273203 3193877 990373 113053 77325 142390 N/F N/F N/F N/F Pantothenate N/F 60124901 59250741 61839819 119344839 222845014 240030496 68693301 46514935 338474889 92169531 87693 88024837 272673820 N/F 224659166 241211840 204532108 43144950 N/F N/F 139689386 N/F 389359528 74852584 81736535 132455978 589674686 116109961 267684847 323249860 99981461 188759087 78319511 N/F 248980233 215296390 N/F 147636524 100609762 233508990 59298191 232281372 223776389 258589049 58889058 61177730 170919879 74909399 65268110 37590901 278182725 66114556 65582938 N/F 112953217 362423172 304572603 73458957 85485703 394531177 223618373 292123968 147038246 91429230 197215398 194464127 170337993 116866475 146611652 145982529 56396231 217047 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 269056 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 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 allantoin N/F N/F N/F 1023394 N/F N/F N/F N/F N/F N/F N/F N/F 712430 N/F N/F N/F N/F N/F N/F N/F 1183446 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 862661 516498 N/F N/F 27683637 N/F 638907 1460511 547101 N/F N/F N/F 641160 N/F 786360 N/F N/F N/F N/F N/F N/F N/F 584863 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 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 650064 142976 819916 196639 449606 N/F 609316 555910 335974 1478166 N/F N/F 665181 695589 484001 359277 214544 668871 667365 862319 719973 490958 202771 631167 233784 615203 854679 2032963 N/F N/F 598411 N/F 153908 1148883 1149285 558444 400742 550442 N/F N/F 683151 252919 N/F N/F 709295 239093 147491 237465 N/F N/F N/F 887089 N/F N/F N/F 291163 311225 400889 N/F N/F 584761 N/F 495318 173430 411114 441111 745821 445198 288169 392720 416968 N/F N/F N/F N/F N/F N/F N/F N/F acetoacetate 30168123 27872757 33308396 32704248 31395341 34497233 31322194 31651028 31012012 30120422 31185193 32278353 27001412 34622211 34382872 31460031 31943114 32010370 32575386 34853507 34869203 33518649 26738537 32420815 33120743 33636429 34000635 N/F 28334881 29489917 31907166 33520558 31129803 32985832 33160950 26191069 34060643 N/F 31992404 34414236 27833536 29779699 30777204 27596498 24883621 30682953 29121655 27068317 26740747 25594827 26054544 33222195 24086452 30318708 33257223 31215975 26854651 28637176 35677236 32187184 27316846 22946119 27488449 29737775 29152631 25982565 27754769 23103727 29792006 30074839 N/F 9919991 N/F 385031 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 kynurenine N/F 255156 N/F N/F 504249 504261 271664 583922 N/F N/F N/F N/F N/F N/F N/F 342832 453606 206187 176234 121175 2193345 197042 149802 255474 352846 1001340 396922 1305908 N/F N/F N/F N/F N/F 237950 3980616 633106 603620 N/F 823650 369082 394120 N/F 447836 389009 276718 218405 227208 N/F 199594 313008 137550 268474 688432 214285 345813 314470 1093145 942711 523137 616900 370684 706205 408560 546545 396903 541692 437203 282727 188418 632664 216005 N/F N/F N/F N/F N/F N/F N/F N/F beta-alanine 4390948 N/F N/F N/F 1971953 N/F N/F N/F 3962614 N/F N/F 4541132 N/F N/F 2866627 2574461 N/F 1650138 1907977 3167264 N/F N/F N/F N/F N/F 3108472 4637384 N/F 1232635 3274068 3271082 N/F N/F 2667725 2070166 1434366 2570180 N/F N/F N/F N/F N/F N/F 2885051 N/F 1169900 2191258 N/F 4435822 3243806 3520591 4579404 3158436 N/F N/F 6167188 4120304 N/F 2353252 8688268 N/F 2707565 N/F N/F N/F 2012904 N/F 3540591 N/F 3264422 N/F N/F N/F 394514 N/F N/F N/F N/F N/F alanine-13C3-15N 18426810 19282361 26129085 22249147 23923638 19425396 17260353 25908084 19317368 19523517 23311251 15438562 17015057 22978963 17932894 17059562 20182894 20731497 17825566 19236864 15476158 29436395 21926774 26717451 26339831 24603359 15463890 19512640 31255947 28070488 23882010 21797119 16872489 16290048 20239171 22625328 17973216 18402132 28044983 25083706 17625206 22677877 25169126 16451506 15569629 16487139 14537057 15493394 18397659 18728601 17941360 25808215 18435500 19264635 25049277 19704303 20949080 16728002 25822785 18065891 18357651 17270929 15389583 13365451 18935474 23220705 26567957 20115583 18078058 16231380 18331826 4693433 2336015 715877 1159449 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 73582 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 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 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/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 104540 N/F 348658 N/F 298306 N/F 69953 291528 209983 N/F N/F 431316 176696 785915 134441 223705 123844 147681 N/F N/F 133256 592407 190482 337187 129171 319618 226412 1840255 290900 350486 252073 658626 N/F 216763 167300 359445 207876 744474 233641 356927 N/F N/F 231666 779434 835210 N/F 504596 N/F 315512 349505 230347 1661686 826604 840192 1537703 1431688 1232229 1053901 794405 1319805 804115 1620910 549496 698150 1042809 632145 658485 316032 192417 349062 N/F N/F N/F 52490 N/F N/F N/F N/F N/F choline N/F 1526648 2106916 1838571 2556778 2754994 1987766 1826222 1520586 N/F N/F 1879092 N/F 1906537 N/F N/F 1181821 N/F 1526591 2738530 434777 1061199 1295926 1912466 1430511 2757835 2981222 4913641 N/F 1251690 1735836 1822054 N/F N/F 2496929 2202160 1192081 N/F N/F 1255662 1914458 1493422 937951 2562669 3082422 2165894 1993452 2271224 873799 N/F 1533795 777457 310039 N/F 1146445 1575160 2155352 N/F 2268571 N/F 6904279 1637151 2121706 1516292 1613017 N/F 1084459 2165364 1015839 2006178 1864548 N/F N/F N/F N/F N/F N/F N/F N/F 3C2-15N-Ellmans_opti N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 90076 5354530 3947833 4264756 3490771 2980622 2090749 1602170 736850 3518810 414182 3548800 397549 1646307 2722519 422190 3874866 1786290 3960959 1634345 2475790 3872250 2364025 2723376 2776942 476765 3346864 764623 835563 1847401 2658833 2902911 1817496 2262529 N/F 1071052 1825613 2665204 1646532 3927575 1569429 2186352 3742328 3439686 2462337 3177320 3142175 2339991 3651052 859423 3098299 3512787 4233792 3015480 1427368 3500808 3566418 3316739 1571656 4541579 1152474 5027629 5228198 1219497 1668065 5686300 3135990 4483510 4164179 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 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 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-oxoadipate_unc 3074971 N/F N/F N/F N/F N/F 2478801 N/F 2831247 N/F 1508651 1979897 1284438 2407477 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 1236692 N/F 3298505 N/F N/F N/F N/F N/F N/F N/F 782227 N/F N/F N/F 2076040 N/F N/F 958821 2581440 N/F N/F N/F N/F N/F 1964260 3131974 1582870 1229974 3710263 2170855 N/F 2467003 2960772 N/F 1507780 462176 465307 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 N/F N/F 793245 N/F N/F N/F N/F N/F 844494 465469 664118 N/F N/F N/F 379586 N/F N/F 738678 N/F N/F N/F N/F N/F N/F 478304 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 272169 N/F N/F N/F N/F N/F 491372 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 353834 N/F N/F N/F N/F N/F N/F 47183 N/F Pyridoxal N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 563964 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F opti N/F N/F N/F N/F N/F N/F N/F 20212 N/F N/F 183788 768433 728871 820260 942436 1015880 1308708 1227145 802615 615424 457394 5174336 525008 976964 508851 375869 625705 230002 403667 505508 877343 430947 622165 225939 1520471 795406 859738 2422827 4260610 1972093 531199 255806 2339898 2687408 486177 1304294 1798739 392019 170994 376302 532452 451246 654393 345003 3757859 2887013 1734161 94898 253189 122437 73044 744868 649253 504196 915403 722967 892042 405983 1133217 642472 586997 255075 1052816 798700 259915 394794 616787 961886 547984 gamma-aminobutyric_acid 112609908 12290686 9876213 N/F 15702232 29140885 38201113 13372487 15580506 115062296 19464949 21025545 40181935 11922686 16895751 63020474 28459355 33554091 24870798 48402811 74660463 29781571 N/F 33535509 N/F 54740010 124558610 120890129 N/F N/F 33758052 N/F 15941611 53702703 31465535 N/F 17960888 8431484 N/F 13610453 26838115 11635501 16622974 19472408 72660876 9090466 20533510 24655216 N/F 6831933 10406237 31960666 12284436 7625353 22913310 37994244 18139509 56132349 16255099 25891304 36132745 13823361 40389723 38260460 37038708 24472102 29318882 29288696 28120345 28539678 30376075 29020239 25651315 17420449 20700245 N/F N/F N/F N/F N-acetylglutamate N/F 2865760 N/F N/F N/F N/F 2483164 2318987 2702437 3278010 N/F N/F N/F 2597078 N/F 2246908 N/F 3030907 2386570 N/F N/F N/F 2308349 N/F N/F 2667802 1196977 3236148 N/F N/F N/F 2364580 N/F 2494105 N/F 2831758 N/F 633056 N/F N/F N/F 3322596 N/F N/F 2312415 1990179 N/F N/F N/F N/F N/F N/F N/F 3914111 N/F N/F 3667199 N/F N/F 3043696 N/F N/F 4337850 2470544 N/F 3261025 N/F N/F N/F N/F 2657654 N/F N/F N/F 103222 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 carnitine 1058917413 224278933 382129869 307482945 604395909 355100510 769024595 342799080 284549790 1211416623 371918602 587012987 537397901 407210271 279734580 664916378 447049686 512884639 615288355 783193836 902197169 421508551 410587955 800815849 414653421 1104411956 1328283588 1563596069 303261866 555514515 648692888 315459403 464300904 726933868 848450896 402044097 731824332 523798405 285473986 372221636 613326320 406078805 301133357 444482181 1294326901 384376807 342110977 628928817 350787358 215027044 256508334 570021836 195127812 262870813 340892364 653579151 290424268 634981271 528656263 702754681 1024469421 226438350 741532582 563250209 568167856 600855039 578157345 576863049 552804561 543679456 534909059 164033697 91939681 49793361 28272941 N/F N/F N/F N/F 3-phosphoglycerate 2873640 3149224 3381420 3270710 4051174 4295183 3806163 2495105 3313675 4667702 3515982 2377349 4293888 3200105 2108805 4174154 3340696 3405301 4403729 3989727 3223041 3499637 2630744 3451632 3130115 4586793 4105544 4871097 2138004 3130244 3412450 2285686 2572815 3439975 3331035 2237151 3275850 58625 3258112 3248929 4162167 3504961 3046203 3861490 3489103 3046094 2921555 3121004 3763607 2053398 2066466 3416928 1256065 2082945 4112951 3539642 4151456 3738295 3122000 2623751 4974422 1544714 3373974 2907746 3165813 4030712 3690363 3405251 3208740 2792764 3203778 436521 49457 17798 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/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 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 N/F N/F N/F N/F N/F 5146005 N/F N/F N/F N/F N/F N/F N/F N/F 4698957 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 4730412 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 4678222 N/F N/F N/F 5141231 N/F N/F N/F N/F N/F 4290276 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 5708144 N/F N/F N/F N/F N/F N/F N/F HIAA N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 2435545 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F argininosuccinate_unc 11389632 10828396 11302810 12994214 13121497 11034806 10610100 11096632 11458380 7247898 10005692 10371423 9314458 9958482 7221228 8979060 9844245 9035837 14972571 12613776 8139028 9675032 8531375 10384977 9087041 12379769 7624708 11533099 10168456 10044147 8851565 8602462 7929728 17050059 19943093 13342150 14430088 17733632 22772285 19858085 20635293 12743058 16385131 13782057 14411553 14461344 12214018 11830249 8916167 6245297 9929869 11659118 7177413 10212805 14370945 10967567 8817022 10795702 10746501 8427171 6219562 4894339 9264035 8769530 11196824 12817247 13923973 11861015 11047870 10732081 10645174 4228917 798276 N/F N/F N/F N/F N/F N/F Nicotinic Acid N/F N/F N/F N/F N/F N/F N/F N/F N/F 392775 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 398186 N/F N/F N/F 448139 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 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 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 cytidine 110832716 75383845 115634210 91641892 113058081 99490482 112286480 111963031 83972379 157286617 99470995 85852067 124219068 121912410 73033079 130347220 104800475 133717992 135094626 128802973 120922365 131828749 102176219 145555867 109498509 135788750 148067638 172016250 79928718 98172262 124233837 69999947 81771550 111853020 131973327 119187645 103661076 119872320 113093992 105479533 134821008 120263837 103653310 90200407 134702513 107860713 92014856 100896356 79383365 41823318 50073855 105921198 40785165 52686268 108281579 105514732 112182625 115942647 102639706 74654231 82784694 49869665 100518838 82129182 101565186 115429139 117662464 99750989 95672049 90382938 93585911 29321164 12868766 6198155 6076604 N/F N/F N/F N/F arginine-13C6-15N4 794576082 802123526 1011666238 950319216 1059474529 902682518 769590898 996611126 867565328 789722011 901062397 771856349 806448507 977747971 896872519 840365757 904093769 908458741 818259838 828101796 781400074 1117310278 945576920 1011836008 1040400339 961964259 787171077 931811599 1253141084 1169484361 1039091791 1036578558 855254265 730663534 840834312 936172840 778826605 997057979 1023355141 927217318 804526423 978329974 917475913 802542307 766106895 778891849 788813188 765497640 843181656 849829009 837517483 1024076224 945060002 871939921 933670830 842270667 807572547 729402808 1027822876 841502203 837609171 796216789 813972974 754605398 878435576 967080336 1013525469 957014621 848099850 812547415 813941274 402468763 257769160 149963006 160808570 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 7392 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 6972 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 573430 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F phosphocreatine 15108593 21801408 23118457 21004277 26982190 15382510 25118798 19021290 22178363 11857401 12980471 13964671 9161222 15889263 23584909 12976851 15885587 9475171 15099717 16238358 9505210 22462576 14997376 22124146 20033449 18820937 16027544 10525710 16142722 15927644 15472425 16719335 11830468 12167188 10677398 15609717 15416551 8329547 19805454 17689296 13210941 18686313 16092117 16815677 14613650 10981959 10190814 10123970 15888912 11417485 15495692 22104757 9632263 15169280 12977617 18046199 13143013 9768251 11699239 10959774 12151232 14170264 10443607 13915657 16310487 16531650 16848623 14906066 14976979 13431826 14270073 2937098 945633 817184 441758 N/F N/F N/F N/F dTTP N/F N/F N/F 98831 54120 N/F N/F N/F N/F 29668 N/F 134190 N/F 107111 N/F N/F 182408 N/F N/F N/F N/F 78659 N/F N/F N/F N/F 234492 N/F N/F N/F 246757 108742 102674 N/F 61887 N/F N/F N/F N/F 34483 N/F N/F N/F N/F N/F 67476 58891 N/F N/F 42626 N/F N/F N/F N/F 60897 N/F N/F N/F N/F N/F N/F 81284 31662 120941 114747 73176 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F saccharopine_unc 85085159 42232193 56230266 47458060 73817257 50145653 44847684 51046753 41639232 73687946 51786825 56574324 46938067 72943760 61112200 45719829 71821661 40863008 48466242 85246922 59505625 68281115 49741462 62200931 66683225 66591741 52594989 177445205 57346258 43326993 93955380 47101664 33527705 88365166 216228805 86355618 76237505 8689883 86619563 140787638 216750732 86988645 121800575 105021244 193854129 44464574 34065039 113645808 37487491 37093136 35667663 98756720 36982992 36085934 73677256 58600482 51013467 48424379 41304121 27286182 73725051 63412713 42214564 50119601 68948222 85510775 82462974 76528466 68777679 64994316 66805836 9199679 1792221 536082 370108 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 dCytidine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 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 dCTP Glycerol 3-Phosphate dimethylglicine cystine 3-methyl-2-oxopentanoic_acid succinyl-CoA histidine-13C6-15N3 succinate uridine NADH NAD+ """glutamate-13C5,15N""" AICAR Picolinate 1-methylnicotinamide xanthine propionylcarnitine citrate tyrosine cysteine_13C3_15N1 phosphocholine Itaconic Acid 3-ureidopropionate cis-aconitate dATP leucine Alpha-Ketoglutarate tyrosine-13C9-15N O-phosphoethanolamine_unc Pyridoxine glucose 3-hydroxyisobutyric_acid valine-13C5-15N serine-13C3-15N Pipecolate taurine proline homocysteine isocitrate_unc quinolinic_acid phosphoethanolamine cystine-13C6-15N2 cytosine_unc CoA-Ellmans_unc inosine 2-hydroxybutyric_acid phenylalanine-13C9-15N thymidine serine indolelactate IMP mannose leucine-13C6-15N guanidinoacetate Methionine sulfoxide cysteine-glycine formyl_methionine cystathionine biotin acetylcarnitine anserine_unc ADP tryptamine Phenylacetyl glutamine homocitrulline glycine_13C2-15N threonine-13C4-15N p-aminobenzoate gamma-glutamyl-alanine GSSG UMP GSH sarcosine_unc tryptophan UTP acetylserine threonine guanosine CDP ornithine hypotaurine F6P_G1P_unc glutamine dihydroxyacetone_phosphate aspartate 2-hydroxyglutarate cysteic_acid methylthioadenosine GDP isoleucine PRPP_unc adenine glycine 2-aminobutyric_acid amidoadipate serotonin guanine glutamate methionine valine fructose Glycerophosphocholine palmitate ascorbate_unc phosphoenolpyruvate orotate creatine GSH-13C2_15N S-Adenosyl-L-methionine xanthosine_unc thiamine 3-hydroxybutyric_acid uracil asymmetric dimethylarginine (ADMA) lysine FAD asparagine Ribose 1-phosphate_unc 6-phosphogluconate dihydroorotate_unc Acetyl CoA N-acetylmethionine myo-inositol Sedoheptulose-7-phosphate phenylalanine N-acetylcysteine pseudouridine_unc cysteine_unc Kynurenic Acid arginine methionine-13C5-15N sorbitol anthranilic_acid citrulline carnosine proline-13C5-15N uric acid malonyl-CoA Ribose_Ribulose 5-phosphate_3Me-Lys C5 Carnitines UDP-GlcNAc creatinine Isoleucine-13C6-15N Coenzyme A llmans_opti """Fructose 1,6-bisphosphate""" CDP-choline acetylalanine malate dUMP Ureidosuccinic_acid Riboflavin lysine-13C6-15N2 adenosine_unc glycerate N-acetyllysine S-methylcysteine_unc UDP-hexose hypoxanthine GTP GSH_13C2-15N-Ellmans Butyrylcarnitine acetylglutamate 2-oxobutyric_acid_unc Glucose 6-phosphate N-acetylglutamine Alpha-Lipoic Acid_unc betaine N-acetylornithine histidine GAR acetylaspartate alpha-keto-isovalerate trans-urocanate lactic_acid acetylglycine aspartate-13C6-15N4 folic_acid GSH_Ellmans GMP NADPH niacinamide cAMP_unc Pantothenate phosphoserine """2,3-BPG_unc""" allantoin S-Adenosyl-L-Homocysteine acetoacetate dTMP kynurenine beta-alanine alanine-13C3-15N ATP CMP N-acetylphenylalanine choline 3C2-15N-Ellmans_opti pyruvate 2-oxoadipate_unc hydroxyproline_gammaALA Pyridoxal opti gamma-aminobutyric_acid N-acetylglutamate NADP carnitine 3-phosphoglycerate ADP-ribose_unc fumarate HIAA argininosuccinate_unc Nicotinic Acid erythrose_4-phosphate_unc glyceraldehyde_3-phosphate cytidine arginine-13C6-15N4 CTP AMP phosphocreatine dTTP saccharopine_unc UDP dCytidine METABOLITES_END #END