#METABOLOMICS WORKBENCH boryana_ptrva_20210422_095523_mwtab.txt DATATRACK_ID:2596 STUDY_ID:ST001772 ANALYSIS_ID:AN002879 PROJECT_ID:000000 VERSION 1 CREATED_ON May 5, 2021, 1:30 pm #PROJECT PR:PROJECT_SUMMARY This study aimed to optimize the detection of several key redox-reactive PR:PROJECT_SUMMARY metabolites from mammalian cells and tissues. We explored three different PR:PROJECT_SUMMARY chromatographic methods and optimized sample preparation, extraction buffer and PR:PROJECT_SUMMARY conditions as well as mass spectrometry detection parameters. The established PR:PROJECT_SUMMARY method was tested and validated using biologically relevant ROS-inducing PR:PROJECT_SUMMARY conditions. This study can be a valuable resource for the metabolomics PR:PROJECT_SUMMARY community. PR:INSTITUTE Boston Childrens Hospital PR:DEPARTMENT Pathology PR:LABORATORY Naama Kanarek PR:FIRST_NAME Boryana PR:ADDRESS 300 Longwood Av, Boston, MA, 2115, USA PR:EMAIL boryana.petrova@childrens.harvard.edu PR:PHONE 6173557433 PR:PROJECT_TITLE Redox metabolism measurement in mammalian cells and tissues by quantitative PR:PROJECT_TITLE LC/MS method (part XIV) PR:LAST_NAME Petrova #STUDY ST:STUDY_TITLE Optimization of redox metabolite detection in mammalian cells (part II) ST:STUDY_SUMMARY Conditions were tested to optimize number of cells and extraction buffer for the ST:STUDY_SUMMARY detection of redox reactive metabolites from mammalian cells. Four different ST:STUDY_SUMMARY extraction buffers were compared. Derivatization of glutathion was explored as a ST:STUDY_SUMMARY condition as well. ST:INSTITUTE Boston Children's Hospital, Harvard Medical School ST:DEPARTMENT Pathology ST:LABORATORY Naama Kanarek ST:LAST_NAME Petrova ST:FIRST_NAME Boryana ST:ADDRESS 300 Longwood Av, Boston, MA, 2115, USA ST:EMAIL boryana.petrova@childrens.harvard.edu ST:PHONE 6173557433 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #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 - blank1 Factor:- RAW_FILE_NAME=20210109_QEF1_HILIC_K562_4buffers_repeat_blank1; other=- SUBJECT_SAMPLE_FACTORS - blank2 Factor:- RAW_FILE_NAME=20210109_QEF1_HILIC_K562_4buffers_repeat_blank2; other=- SUBJECT_SAMPLE_FACTORS - blank3 Factor:- RAW_FILE_NAME=20210109_QEF1_HILIC_K562_4buffers_repeat_blank3; other=- SUBJECT_SAMPLE_FACTORS - blank4 Factor:- RAW_FILE_NAME=20210109_QEF1_HILIC_K562_4buffers_repeat_blank4; other=- SUBJECT_SAMPLE_FACTORS - blank5 Factor:- RAW_FILE_NAME=20210109_QEF1_HILIC_K562_4buffers_repeat_blank5; other=- SUBJECT_SAMPLE_FACTORS - 1M K562 cell buffer A_1_1 Factor:buffer A RAW_FILE_NAME=20210109_QEF1_HILIC_K562_4buffers_repeat_BP676; other="isotopically labelled amino acids, GSH-13C2-15N" SUBJECT_SAMPLE_FACTORS - 1M K562 cell buffer A_1_2 Factor:buffer A RAW_FILE_NAME=20210109_QEF1_HILIC_K562_4buffers_repeat_BP677; other="isotopically labelled amino acids, GSH-13C2-15N" SUBJECT_SAMPLE_FACTORS - 1M K562 cell buffer A_2_1 Factor:buffer A RAW_FILE_NAME=20210109_QEF1_HILIC_K562_4buffers_repeat_BP678; other="isotopically labelled amino acids, GSH-13C2-15N" SUBJECT_SAMPLE_FACTORS - 1M K562 cell buffer A_2_2 Factor:buffer A RAW_FILE_NAME=20210109_QEF1_HILIC_K562_4buffers_repeat_BP679; other="isotopically labelled amino acids, GSH-13C2-15N" SUBJECT_SAMPLE_FACTORS - 1M K562 cell buffer A_5_1 Factor:buffer A RAW_FILE_NAME=20210109_QEF1_HILIC_K562_4buffers_repeat_BP680; other="isotopically labelled amino acids, GSH-13C2-15N" SUBJECT_SAMPLE_FACTORS - 1M K562 cell buffer A_5_2 Factor:buffer A RAW_FILE_NAME=20210109_QEF1_HILIC_K562_4buffers_repeat_BP681; other="isotopically labelled amino acids, GSH-13C2-15N" SUBJECT_SAMPLE_FACTORS - 1M K562 cell buffer B_1_2 Factor:buffer B RAW_FILE_NAME=20210109_QEF1_HILIC_K562_4buffers_repeat_BP682; other="isotopically labelled amino acids, GSH-13C2-15N, aminopterin" SUBJECT_SAMPLE_FACTORS - 1M K562 cell buffer B_1_2a Factor:buffer B RAW_FILE_NAME=20210109_QEF1_HILIC_K562_4buffers_repeat_BP683; other="isotopically labelled amino acids, GSH-13C2-15N, aminopterin" SUBJECT_SAMPLE_FACTORS - 1M K562 cell buffer B_2_1 Factor:buffer B RAW_FILE_NAME=20210109_QEF1_HILIC_K562_4buffers_repeat_BP684; other="isotopically labelled amino acids, GSH-13C2-15N, aminopterin" SUBJECT_SAMPLE_FACTORS - 1M K562 cell buffer B_2_2 Factor:buffer B RAW_FILE_NAME=20210109_QEF1_HILIC_K562_4buffers_repeat_BP685; other="isotopically labelled amino acids, GSH-13C2-15N, aminopterin" SUBJECT_SAMPLE_FACTORS - 1M K562 cell buffer B_5_1 Factor:buffer B RAW_FILE_NAME=20210109_QEF1_HILIC_K562_4buffers_repeat_BP686; other="isotopically labelled amino acids, GSH-13C2-15N, aminopterin" SUBJECT_SAMPLE_FACTORS - 1M K562 cell buffer B_5_2 Factor:buffer B RAW_FILE_NAME=20210109_QEF1_HILIC_K562_4buffers_repeat_BP687; other="isotopically labelled amino acids, GSH-13C2-15N, aminopterin" SUBJECT_SAMPLE_FACTORS - 1M K562 cell buffer C_1_1 Factor:buffer C buffer RAW_FILE_NAME=20210109_QEF1_HILIC_K562_4buffers_repeat_BP688; other="isotopically labelled amino acids, GSH-13C2-15N, aminopterin" SUBJECT_SAMPLE_FACTORS - 1M K562 cell buffer C_1_2 Factor:buffer C buffer RAW_FILE_NAME=20210109_QEF1_HILIC_K562_4buffers_repeat_BP689; other="isotopically labelled amino acids, GSH-13C2-15N, aminopterin" SUBJECT_SAMPLE_FACTORS - 1M K562 cell buffer C_2_1 Factor:buffer C buffer RAW_FILE_NAME=20210109_QEF1_HILIC_K562_4buffers_repeat_BP690; other="isotopically labelled amino acids, GSH-13C2-15N, aminopterin" SUBJECT_SAMPLE_FACTORS - 1M K562 cell buffer C_2_2 Factor:buffer C buffer RAW_FILE_NAME=20210109_QEF1_HILIC_K562_4buffers_repeat_BP691; other="isotopically labelled amino acids, GSH-13C2-15N, aminopterin" SUBJECT_SAMPLE_FACTORS - 1M K562 cell buffer C_5_1 Factor:buffer C buffer RAW_FILE_NAME=20210109_QEF1_HILIC_K562_4buffers_repeat_BP692; other="isotopically labelled amino acids, GSH-13C2-15N, aminopterin" SUBJECT_SAMPLE_FACTORS - 1M K562 cell buffer C_5_2 Factor:buffer C buffer RAW_FILE_NAME=20210109_QEF1_HILIC_K562_4buffers_repeat_BP693; other="isotopically labelled amino acids, GSH-13C2-15N, aminopterin" SUBJECT_SAMPLE_FACTORS - 1M K562 cell buffer C_Ell_1_1 Factor:buffer C_Ell RAW_FILE_NAME=20210109_QEF1_HILIC_K562_4buffers_repeat_BP694; other="isotopically labelled amino acids, GSH-13C2-15N, aminopterin" SUBJECT_SAMPLE_FACTORS - 1M K562 cell buffer C_Ell_1_2 Factor:buffer C_Ell RAW_FILE_NAME=20210109_QEF1_HILIC_K562_4buffers_repeat_BP695; other="isotopically labelled amino acids, GSH-13C2-15N, aminopterin" SUBJECT_SAMPLE_FACTORS - 1M K562 cell buffer C_Ell_2_1 Factor:buffer C_Ell RAW_FILE_NAME=20210109_QEF1_HILIC_K562_4buffers_repeat_BP696; other="isotopically labelled amino acids, GSH-13C2-15N, aminopterin" SUBJECT_SAMPLE_FACTORS - 1M K562 cell buffer C_Ell_2_2 Factor:buffer C_Ell RAW_FILE_NAME=20210109_QEF1_HILIC_K562_4buffers_repeat_BP697; other="isotopically labelled amino acids, GSH-13C2-15N, aminopterin" SUBJECT_SAMPLE_FACTORS - 1M K562 cell buffer C_Ell_5_1 Factor:buffer C_Ell RAW_FILE_NAME=20210109_QEF1_HILIC_K562_4buffers_repeat_BP698; other="isotopically labelled amino acids, GSH-13C2-15N, aminopterin" SUBJECT_SAMPLE_FACTORS - 1M K562 cell buffer C_Ell_5_2 Factor:buffer C_Ell RAW_FILE_NAME=20210109_QEF1_HILIC_K562_4buffers_repeat_BP699; other="isotopically labelled amino acids, GSH-13C2-15N, aminopterin" SUBJECT_SAMPLE_FACTORS - pooled sample QC1 Factor:- RAW_FILE_NAME=20210109_QEF1_HILIC_K562_4buffers_repeat_BP700_pool1x_a; other=- SUBJECT_SAMPLE_FACTORS - pooled sample QC2 Factor:- RAW_FILE_NAME=20210109_QEF1_HILIC_K562_4buffers_repeat_BP700_pool1x_b; other=- SUBJECT_SAMPLE_FACTORS - pooled sample QC3 Factor:- RAW_FILE_NAME=20210109_QEF1_HILIC_K562_4buffers_repeat_BP700_pool1x_c; other=- SUBJECT_SAMPLE_FACTORS - pooled sample QC4 Factor:- RAW_FILE_NAME=20210109_QEF1_HILIC_K562_4buffers_repeat_BP700_pool1x_d; other=- SUBJECT_SAMPLE_FACTORS - pooled sample QC5 Factor:- RAW_FILE_NAME=20210109_QEF1_HILIC_K562_4buffers_repeat_BP700_pool1x_e; other=- SUBJECT_SAMPLE_FACTORS - pooled sample QC 1/3 dilution Factor:- RAW_FILE_NAME=20210109_QEF1_HILIC_K562_4buffers_repeat_BP701_pool03x; other=- SUBJECT_SAMPLE_FACTORS - pooled sample QC 1/10 dilution a Factor:- RAW_FILE_NAME=20210109_QEF1_HILIC_K562_4buffers_repeat_BP702_pool01x_a; other=- SUBJECT_SAMPLE_FACTORS - pooled sample QC 1/10 dilution b Factor:- RAW_FILE_NAME=20210109_QEF1_HILIC_K562_4buffers_repeat_BP702_pool01x_b; other=- #COLLECTION CO:COLLECTION_SUMMARY All animal care and experimental procedures were approved by the Institutional CO:COLLECTION_SUMMARY Animal Care and Use Committees of Boston Children’s Hospital. Mouse strain CO:COLLECTION_SUMMARY used was C57BL/6. Pure CSF samples were collected from the cisterna magna [39]. CO:COLLECTION_SUMMARY Blood samples were collected from the retromandibular vein. The samples were CO:COLLECTION_SUMMARY coagulated and centrifuged. Liver and kidney were collected and flash frozen. CO:COLLECTION_SUMMARY Tissue chunks were cut on a glass plate while kept chilled on top of dry ice. CO:COLLECTION_SUMMARY K562 cells used in this manuscript were authenticated by short tandem repeat CO:COLLECTION_SUMMARY analysis and tested negative for mycoplasma. Cells were cultured in RPMI CO:COLLECTION_SUMMARY (Genesee Scientific) up to a density of 2 Million cells per ml. For redox CO:COLLECTION_SUMMARY chemical treatment experiments, cells were seeded at 1 Million cells per ml cell CO:COLLECTION_SUMMARY density in 6-well plates and drugs were added for 4h at the following CO:COLLECTION_SUMMARY concentrations: methotrexate: 5 µM; oligomycin: 80 µg/ml; H2O2: 1 mM; diamide: CO:COLLECTION_SUMMARY 0.5 mM; DMSO, which served as control: 0.6 µl per 1 mL of cell culture media CO:COLLECTION_SUMMARY (equivalent to volume used for oligomycin). CO:SAMPLE_TYPE K562 Cells #TREATMENT TR:TREATMENT_SUMMARY 1M K562 cells + Buffers from Study Design #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Metabolites were quenched as quickly as possible while working with the samples SP:SAMPLEPREP_SUMMARY at low temperatures. Cells were handled at 4ºC or on dry ice, extraction buffer SP:SAMPLEPREP_SUMMARY was pre-chilled at -20ºC. Samples were analyzed by LC-MS on the same day of SP:SAMPLEPREP_SUMMARY extraction (if impractical, best alternative is to store dried samples at SP:SAMPLEPREP_SUMMARY -80ºC). Unless indicated otherwise, 1 million cells or about 2 mg of tissue was SP:SAMPLEPREP_SUMMARY extracted per condition and a minimum of three replicates per condition was used SP:SAMPLEPREP_SUMMARY in each experiment. K562 cells that are non-adherent, were collected by brief SP:SAMPLEPREP_SUMMARY centrifugation at 4ºC using a table-top centrifuge (4,500 rpm, 1.5 min) and SP:SAMPLEPREP_SUMMARY washed briefly in 0.9% NaCl (high grade salt and LC-MS-grade water Fisher SP:SAMPLEPREP_SUMMARY Scientific W6500 or Sigma Aldrich 1.15333). 300 µl of prechilled extraction SP:SAMPLEPREP_SUMMARY buffer were added per sample. For tissues – chunks were crushed using a SP:SAMPLEPREP_SUMMARY hand-held homogenizer (VWR 47747-370) with several pulses while keeping the SP:SAMPLEPREP_SUMMARY samples on ice. 300 µl of prechilled extraction buffer was used per 2 mg of SP:SAMPLEPREP_SUMMARY tissue. Extraction buffer “A”: 40:40:20 of acetonitrile:methanol:water, SP:SAMPLEPREP_SUMMARY supplemented with 0.1M formic acid and isotopically-labeled internal standards SP:SAMPLEPREP_SUMMARY (17 amino acids and reduced glutathione, Cambridge Isotope Laboratories, SP:SAMPLEPREP_SUMMARY MSK-A2-1.2 and CNLM-6245-10). Extraction buffer “B”: 80% LC-MS-grade SP:SAMPLEPREP_SUMMARY methanol, 20% 25 mM Ammonium Acetate and 2.5 mM Na-Ascorbate prepared in LC-MS SP:SAMPLEPREP_SUMMARY water and supplemented with isotopically labeled internal standards (17 amino SP:SAMPLEPREP_SUMMARY acids and isotopically labelled reduced glutathione, Cambridge Isotope SP:SAMPLEPREP_SUMMARY Laboratories, MSK-A2-1.2 and CNLM-6245-10). Extraction buffer “C” and “C + SP:SAMPLEPREP_SUMMARY Ellman’s”: Solution 1: 100% LC-MS Methanol Solution 2: 25mM Ammonium Acetate SP:SAMPLEPREP_SUMMARY and 2.5mM Na-Ascorbate in LC-MS water supplemented with isotopically labelled SP:SAMPLEPREP_SUMMARY reduced glutathione and isotopically labeled internal standards (17 amino acids SP:SAMPLEPREP_SUMMARY and reduced glutathione, Cambridge Isotope Laboratories, MSK-A2-1.2 and SP:SAMPLEPREP_SUMMARY CNLM-6245-10). Ellman’s reagent (5,5′-Dithiobis(2-nitrobenzoic acid),D8130, SP:SAMPLEPREP_SUMMARY Sigma Aldrich): 20 mM in “Solution 2”. Final composition is 80% solution 1 SP:SAMPLEPREP_SUMMARY and 20% solution 2. Samples were vortexed briefly (10 sec) and sonicated for 3 SP:SAMPLEPREP_SUMMARY min in a 4ºC water bath. Samples were then centrifuged for 10 min, 4ºC, at SP:SAMPLEPREP_SUMMARY maximum speed on a benchtop centrifuge (Eppendorf) and the cleared supernatant SP:SAMPLEPREP_SUMMARY was transferred to a new tube. Samples were dried using a nitrogen dryer while SP:SAMPLEPREP_SUMMARY on ice, and special attention was given to minimize the time of drying and to SP:SAMPLEPREP_SUMMARY not let samples idle in the dryer (Reacti-Vap™ Evaporator, Thermo Fisher SP:SAMPLEPREP_SUMMARY Scientific, TS-18826) once the drying process was completed. Needles were SP:SAMPLEPREP_SUMMARY continuously adjusted to the surface of the liquid as the samples evaporated to SP:SAMPLEPREP_SUMMARY expedite the drying process. Samples were reconstituted in 30 µl LC-MS-grade SP:SAMPLEPREP_SUMMARY water by brief sonication in a 4ºC water bath. Extracted metabolites were spun SP:SAMPLEPREP_SUMMARY for 2 min at maximum speed on a bench-top centrifuge and cleared supernatant was SP:SAMPLEPREP_SUMMARY transferred to LC-MS micro vials (National Scientific, C5000-45B). A small SP:SAMPLEPREP_SUMMARY amount of each sample was pooled and serially diluted 3- and 10-fold to be used SP:SAMPLEPREP_SUMMARY as quality controls throughout the run of each batch. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY ZIC-pHILIC chromatography: One ml of reconstituted sample was injected into a CH:CHROMATOGRAPHY_SUMMARY ZIC-pHILIC 150 × 2.1 mm (5 µm particle size) column (EMD Millipore) CH:CHROMATOGRAPHY_SUMMARY operated on a Vanquish™ Flex UHPLC Systems (Thermo Fisher Scientific, San CH:CHROMATOGRAPHY_SUMMARY Jose, CA). Chromatographic separation was achieved using the following CH:CHROMATOGRAPHY_SUMMARY conditions: buffer A was acetonitrile; buffer B was 20 mM ammonium carbonate, CH:CHROMATOGRAPHY_SUMMARY 0.1% ammonium hydroxide. Gradient conditions were: linear gradient from 20% to CH:CHROMATOGRAPHY_SUMMARY 80% B; 20–20.5 min: from 80% to 20% B; 20.5–28 min: hold at 20% B. The CH:CHROMATOGRAPHY_SUMMARY column oven and autosampler tray were held at 25 °C and 4 °C, CH:CHROMATOGRAPHY_SUMMARY respectively. CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME EMD Millipore ZIC HILIC (150 x 2.1mm, 5um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS HESI #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS ppm MS_METABOLITE_DATA_START Samples blank1 blank2 blank3 blank4 blank5 1M K562 cell buffer A_1_1 1M K562 cell buffer A_1_2 1M K562 cell buffer A_2_1 1M K562 cell buffer A_2_2 1M K562 cell buffer A_5_1 1M K562 cell buffer A_5_2 1M K562 cell buffer B_1_2 1M K562 cell buffer B_1_2a 1M K562 cell buffer B_2_1 1M K562 cell buffer B_2_2 1M K562 cell buffer B_5_1 1M K562 cell buffer B_5_2 1M K562 cell buffer C_1_1 1M K562 cell buffer C_1_2 1M K562 cell buffer C_2_1 1M K562 cell buffer C_2_2 1M K562 cell buffer C_5_1 1M K562 cell buffer C_5_2 1M K562 cell buffer C_Ell_1_1 1M K562 cell buffer C_Ell_1_2 1M K562 cell buffer C_Ell_2_1 1M K562 cell buffer C_Ell_2_2 1M K562 cell buffer C_Ell_5_1 1M K562 cell buffer C_Ell_5_2 pooled sample QC1 pooled sample QC2 pooled sample QC3 pooled sample QC4 pooled sample QC5 pooled sample QC 1/3 dilution pooled sample QC 1/10 dilution a pooled sample QC 1/10 dilution b Factors Factor:- Factor:- Factor:- Factor:- Factor:- Factor:buffer A Factor:buffer A Factor:buffer A Factor:buffer A Factor:buffer A Factor:buffer A Factor:buffer B Factor:buffer B Factor:buffer B Factor:buffer B Factor:buffer B Factor:buffer B Factor:buffer C buffer Factor:buffer C buffer Factor:buffer C buffer Factor:buffer C buffer Factor:buffer C buffer Factor:buffer C buffer Factor:buffer C_Ell Factor:buffer C_Ell Factor:buffer C_Ell Factor:buffer C_Ell Factor:buffer C_Ell Factor:buffer C_Ell Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- Factor:- 1-methylnicotinamide N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F "2,3-BPG_unc" N/F N/F N/F N/F N/F 257808 217516 336446 520500 852950 1042315 N/F N/F N/F N/F N/F N/F 201332 214161 522415 411639 1251105 825479 254601 239557 507586 380269 1126959 1548970 346598 389556 529671 529070 502477 127905 N/F N/F 2-aminobutyric_acid N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 15569188 N/F N/F 35903871 N/F N/F 40698139 21903178 55369870 68821247 N/F 19634316 N/F N/F N/F N/F N/F N/F 2-hydroxybutyric_acid N/F N/F N/F N/F N/F 1364008 1125803 1946025 1813346 3414364 3978455 1328840 1050714 1851310 1994846 3628976 3835380 1010259 1009876 2210844 1930324 4353546 4284032 N/F N/F 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-hydroxyglutarate 2471033 2522371 N/F N/F 925056 59319544 64771992 55428455 53129252 46465451 49531998 11330265 9861140 11084096 12857103 18448286 20141565 1018676891 1224366125 1738171002 1897088817 1075033728 1366665786 1664431417 1587572835 1823283901 1771432067 1713874169 1828596801 1007557777 982268781 974996679 966150168 944082432 512577535 279161403 263697413 2-oxoadipate_unc N/F N/F N/F N/F 40043 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 2360781 2658715 1995323 1541862 2755204 2892778 1488010 1884732 1381524 1917719 1055796 1237552 1264530 1119183 1006824 1066264 618225 719876 247146 N/F 2-oxobutyric_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 49646647 47332278 47236372 45252052 37774944 40438906 43228541 39430907 38113049 38322648 39222765 37290478 19280551 19699892 20788569 20626394 20442531 8273002 1790864 2315350 3-hydroxybutyric_acid 374358 352088 430438 429113 352067 1329377 1578257 1787242 2305699 4584124 4321668 1352211 1188851 1952081 1952214 3936243 4446650 1540201 1217973 1849177 1753779 3967697 4264462 N/F N/F 1460295 1080952 3399782 3621318 2494875 2633040 2034817 3376082 3144109 1270147 731016 627764 3-hydroxyisobutyric_acid N/F N/F N/F N/F N/F 500041 509997 1100438 899805 2255527 2247353 733810 647093 1080541 1271829 2403137 2097762 502313 481415 1150605 888222 2098489 2209233 273305 489635 746835 593298 2038298 2209290 1138749 1090124 1089953 1308533 834330 492253 99534 188401 3-methyl-2-oxopentanoic_acid N/F N/F N/F N/F N/F 1950761 2090430 5059914 11347176 32258837 26257258 28666088 30423439 59877916 59825193 110880178 116047115 23634551 23067777 61352209 56212912 101939216 111701438 37002038 31274615 64073288 54867601 123788594 136211817 56676103 57050756 54704129 51432822 54117046 18770500 4857517 5096502 3-phosphoglycerate N/F N/F N/F N/F N/F 13282806 13630324 26432795 28672076 58314246 57352584 29668831 12534619 19302788 48122731 98932092 69268220 13183292 11535992 25063338 18742848 59347613 51500334 10538788 14291828 24013975 23201443 47163864 53983079 26388159 25580053 29309722 29020758 27886619 9116230 1359195 1487475 3-ureidopropionate N/F N/F N/F N/F N/F 40439 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 5-Hydroxyindole-3-Acetate_unc N/F N/F N/F N/F N/F N/F 188029 234272 275005 618208 888078 N/F N/F N/F N/F 69861 113686 N/F N/F N/F 317536 N/F N/F N/F N/F N/F N/F 363912 740553 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 acetoacetate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Acetyl CoA N/F N/F N/F N/F N/F 3453198 3005855 6235936 6311543 15492256 15815278 N/F N/F N/F 509481 1380063 648992 2325497 2339163 6039052 5484264 16360240 15542441 2811178 2960022 6009072 5527783 13640967 15510106 5488781 5415910 6020241 6227804 5380215 1901127 531291 411133 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 acetylaspartate N/F N/F N/F N/F N/F 8388853 7912775 16118914 14051462 21363471 21986907 8842060 8748350 14105164 15814878 20369395 24083229 8473343 10893010 14718432 14273513 20675174 24781575 12287733 11759957 17191595 14309368 22997193 25823643 19219779 19216986 16875213 15864016 14759403 7277029 3176302 2479699 acetylcarnitine N/F N/F N/F N/F 191031 1007318808 1032026597 1945957621 1863463008 4181404724 4395843743 1056035314 999697621 1934482252 2038018482 4055395946 4313656417 950908066 1004402456 1915609266 1715873184 4355479406 4549160653 957604885 967757110 1678624532 1565980964 3670393447 4162553813 2465535207 2468409128 2386874511 2286191849 2294781536 835227886 227773236 225762040 acetylglutamate N/F N/F N/F N/F N/F 1823692 1911669 2874002 2679580 4228450 4566371 1234515 1145076 1826587 1979672 3545562 4136465 1970022 2271858 3291103 2178336 4599753 5199425 3585909 2304266 2366639 2791344 4317166 4204869 3399593 3490772 2808176 3111616 3000938 1321837 392204 371888 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 acetylserine N/F N/F N/F N/F N/F 6647551 6934102 14727211 15678677 33193595 34486825 15729309 13554247 26296128 26313099 57231639 53742189 8146280 7532067 11426463 10924410 25836757 26142220 8622871 9386782 10510311 12073500 24771349 25547747 17751724 18458940 17370529 16520444 16264794 8757969 2745898 2590734 adenine N/F N/F N/F N/F N/F 32383002 57840722 43252305 37236893 47312910 46077619 3651706 4499289 5935618 7500235 13814096 13573069 28838779 45354199 60590052 17145264 63366028 75579762 43661333 39598643 63491206 53237052 87497991 137289544 76020441 65457237 63639823 63867529 65175676 45742682 17391739 19168421 adenosine_unc N/F N/F 290653 481758 444258 1589106 2852362 1915099 983843 1362657 1178521 20085159 27403688 62099719 23582362 242376902 145342843 50619 1417055 238390 441051 546159 1151108 2889041 2566063 4616941 4757736 12582583 15173270 7477527 5567247 4918216 4562668 4934730 4029952 4282305 4105415 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 ADP N/F N/F N/F N/F N/F 62639678 61131231 114501650 135818977 279422577 296430895 24856352 13561500 28911836 52662865 108830895 88087857 60225047 50471643 136912576 101637879 325932588 272938438 55523615 59085254 112384959 108966859 225238200 255467326 155699181 155539923 169644865 176041329 172196812 51338847 9235304 10234076 AICAR N/F N/F N/F N/F N/F N/F 39491 94107 99760 306254 348107 76107 75840 175288 179121 405539 406501 N/F N/F N/F N/F 354576 262382 N/F N/F N/F N/F 251420 298393 78173 129495 158115 91791 113883 43978 N/F N/F alanine-13C3-15N N/F N/F N/F N/F N/F 11271492 10009418 8479300 7879352 5334856 3783215 4115211 2836606 1123810 3172345 N/F N/F 6047761 7551365 5633044 5341554 3045465 2884171 6464610 6399787 5641693 5094379 2268991 2351267 5871209 4858867 4246880 3408350 4225018 1602313 449788 N/F alanine N/F N/F N/F N/F N/F 287443584 281289357 493231938 438777908 701437305 736462841 332358673 324084209 479443579 510318033 713365245 791995332 277052882 300698636 476633121 455437487 723747380 765077819 297920671 311316456 445654800 425744120 716368872 739477012 605359698 572818005 518391430 519890687 502676330 246841428 87907495 73703604 allantoin N/F N/F N/F N/F N/F N/F N/F N/F N/F 744895 1469973 10508140 8794080 14279486 13436050 31505227 27947483 N/F N/F N/F N/F 1386574 1040111 N/F N/F N/F N/F 946087 1035750 N/F N/F N/F N/F N/F 333115 N/F N/F alpha-keto-isovalerate N/F N/F N/F N/F N/F N/F N/F N/F N/F 918569 637271 1556472 1996586 4791390 3592348 7948628 8431216 1769916 1681289 3618559 4398481 6752567 7115064 3170451 2502162 4540839 4375233 9477251 9802542 4541410 4411876 3955893 4456318 4520116 1417673 366901 400935 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 Alpha-Lipoic Acid_unc N/F N/F N/F N/F N/F 92340360 88802702 96972033 91204659 93273777 86840790 N/F N/F N/F N/F N/F N/F 472174 395141 459590 440851 763720 924523 N/F N/F N/F N/F N/F N/F 18963881 19083842 19178728 18696317 18800096 5778171 1355052 1316686 amidoadipate N/F N/F N/F N/F N/F 3682248 4514455 7684452 6502174 9865579 10124960 3550579 3970684 7158702 7698535 11833612 13133741 12474461 15465580 12644459 11712902 13148286 15285399 14048288 12847780 11579064 12026306 12102982 17268359 12138532 15427911 9809709 9566035 10015770 4978377 2824451 1668102 AMP N/F N/F N/F N/F N/F 56150126 56775371 104915330 106471792 291853469 315660321 60416768 54866280 105112261 104325012 300052668 292022230 48729842 50744685 97090987 75967453 280470686 293828589 50387392 56646723 106851174 98810512 267420531 304187988 123925477 120447419 120321313 117539582 117194488 46077189 14505657 15037765 anserine_unc N/F N/F N/F N/F N/F N/F 249130 733800 599753 1537944 1307101 187945 134572 245112 369870 1067577 818962 N/F 255434 801294 562939 1430752 1784512 326901 378568 650949 599021 1375128 1959675 1345796 1020453 1013474 1061062 1101688 308937 N/F N/F arginine-13C6-15N4 N/F N/F N/F N/F N/F 656049492 535346634 574690656 485281592 343975360 322871070 213966762 198452992 176431256 183870509 117893741 112999021 326976981 318930003 278084076 253407619 186250202 198263241 321029364 331165213 256142777 276532887 175221031 192282280 356488094 272538607 259787207 266014976 269545848 130407760 60714114 48124424 arginine 603607 N/F N/F N/F 1724185 1082635222 955462580 1817780749 1601263706 2666038362 2621876296 1250995570 1021292047 1765173803 2092619094 2844450441 2794871756 1035999504 952203312 1743137444 1536093667 2816871071 2972804796 1124022390 1059277297 1526482670 1565100341 2538456688 3002317445 2470236929 1886929954 1808243647 1866286986 1870911653 942210893 448623764 367157062 argininosuccinate_unc N/F N/F N/F N/F N/F 9704299 9289471 17993194 17568565 35207508 36312991 6799561 5492409 12731652 12080391 27626126 30996011 5962335 6647547 11935917 12485136 25308271 25674887 6247798 7070111 13943509 12878899 28877467 30774167 19343011 19234651 18759228 17417736 17322652 8976875 2503980 2522566 ascorbate_unc N/F N/F N/F N/F N/F 777895 2009229 1351305 1580104 3231139 3331292 3248967 3071089 5949868 5961048 11736826 12021084 200557068 229431514 209604096 265375908 114752665 132795737 83484577 123349585 157427179 151311431 246520661 285656055 73279172 73295037 65448666 62074670 59624384 52748959 32443057 30080496 asparagine N/F N/F N/F N/F N/F 138693515 131263785 195337448 204318525 331397731 361446897 87692765 78551931 141340862 155695336 318635430 322326120 86738101 84113277 156450921 130249158 327022381 331806912 90985427 90846621 151957540 149688550 292105792 324093766 212379739 207120201 200239161 199273750 205997256 79200908 19760304 19495950 aspartate-13C6-15N4 N/F N/F N/F N/F N/F 31257385 28415300 23250864 22036897 14514163 14672055 25916364 23668943 16944400 16184849 7331643 7689336 5177702 5891267 5480776 5281734 4908299 4909058 5551872 5535833 5022073 5573376 4237052 4893545 7082344 7377167 6941205 7249085 6743316 3889997 1120952 1690000 aspartate N/F N/F N/F N/F N/F 37912419 36139779 57120993 55562835 83602000 85861545 81787990 74117004 107753865 108814017 112544752 118785550 14405961 14976782 29947883 30295011 61214443 64192320 18505584 15873057 28992029 27866207 52332163 62368899 38853012 37419208 37988263 37489241 36499878 20673905 6927396 8904014 asymmetric dimethylarginine (ADMA) N/F N/F N/F N/F N/F 19574436 18928102 40625972 38515499 87091341 94044760 27133112 24259151 44055125 52184171 102528413 113475770 15926124 17015924 31639860 31446158 77469951 84052276 15796499 16032269 29777245 28127031 69056419 83115099 53249876 48043708 45426854 42897001 41085878 17249831 5725758 4992525 ATP N/F N/F N/F N/F N/F 90212665 72193270 95349086 147687567 245296719 242404605 7701357 3100887 7120630 19954677 32561523 17773546 83012793 48833917 155138406 89154689 348223115 200217208 71881781 70605082 126281134 142653336 194652123 205072417 75250160 74877688 102671824 122086053 111754399 30581573 5823689 7147331 beta-alanine N/F N/F N/F N/F N/F 103369621 94944800 184619227 170669375 330070547 340572187 90988771 85262226 163661764 184874830 317185968 330435049 90290597 98747310 167378082 156812772 330988770 346189340 95522351 94516233 158564248 158512798 305028991 358734337 242578486 214202253 199004529 197559295 189558136 78354999 27690582 20487055 betaine N/F N/F N/F N/F N/F 845309298 858199096 1642374452 1578648640 3621389695 3763963201 907700990 848154213 1631963364 1682151923 3470555761 3783129411 807194100 850221272 1638214704 1505476488 3780589486 3983243599 867662963 858956621 1460742902 1399397094 3177344342 3789956717 2096876392 2090600388 2053761993 2023430987 1990528230 700922154 189707960 195956178 biotin N/F N/F N/F N/F N/F 32166808 31073812 63086920 66794369 144061401 151381392 32016319 28561965 54393834 49820919 103875433 108529934 29399652 28636781 59956941 49559460 129828793 128339474 18021013 18299257 34289920 33575842 78607013 85115445 88215498 72969493 74827406 74033413 72322151 35151036 9369812 10344079 Butyrylcarnitine N/F N/F N/F N/F N/F 128897948 133355895 255905945 260856673 589969784 606883019 133127117 127286690 262856497 262244930 588427398 615291691 130949819 134560764 266768942 231133304 663156745 664595010 123791364 133327505 236852106 223687856 528579198 599536026 332980251 352787898 333180292 324838303 325603673 112005876 29227598 28520801 C5 Carnitines N/F N/F N/F N/F N/F 313018079 326122930 611283518 612396252 1372069366 1384197186 330785472 311667831 620870032 628876921 1376429417 1474127330 314066264 336454162 629433855 554908221 1471380501 1516221270 305522982 321048188 583101129 545463709 1243413320 1422306590 843290997 773259342 781831305 749172145 735002661 258349925 70092698 68214019 cAMP_unc N/F N/F N/F N/F N/F 456011 496368 1428713 1173642 3731819 3585133 735304 624651 1434202 1432117 3011805 3343490 554850 582377 1521783 1263666 3829414 3748697 662756 747715 1387769 1265136 3590577 4163467 2489453 2223235 2021186 1847966 1893792 512376 128297 53502 carnitine N/F N/F N/F 480927 392150 1872129028 1862724516 3660953831 3474200528 7398744426 7648086858 1894344200 1750167384 3387875167 3632141076 7339267788 7646321373 1684063545 1818558415 3306984405 3110508489 7522673794 7607339555 1740100276 1769973042 3105646898 2942349951 6422753530 7623626695 4493674421 4423755770 4113994572 4144253369 4139493814 1537976796 482772196 441219307 carnosine N/F N/F N/F N/F N/F 3480764 3265251 6455716 6102142 11410964 12239482 6627350 5794239 10913152 13546303 16807609 17226765 3654714 4027110 8217803 8856607 12019069 14393900 4145200 4229816 6827080 6838418 12188663 14658082 8472938 8316271 8458882 8000021 7688031 3258612 803201 624803 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 CDP N/F N/F N/F N/F N/F 3018622 2950223 4970660 5951313 12874201 13668824 1384995 606353 1113846 2492220 3410129 2629151 2640325 2260043 5828218 5203228 14832826 12442335 2412610 2888498 5154481 5126273 11179153 12548114 5363936 5274515 6018387 5966326 5831297 1887008 370837 395138 choline N/F N/F N/F N/F N/F 33957381 31119338 54718489 52292007 92020805 104900351 30762676 24788785 46878849 56116661 88260466 95912127 36113476 33108788 63017537 47579158 111359497 106949533 36126604 35577192 52463460 49545644 93246230 99056357 66050274 61683108 61749117 60775931 63243592 25179427 7474369 8033245 cis-aconitate N/F N/F N/F N/F N/F 13511449 11145022 20062484 24799431 55428855 58632163 8452858 5820749 12405451 15599920 50192555 43679818 11375636 10641632 23194236 20534730 52816914 53281946 10386747 12081024 20274336 17547134 48495457 48565927 26144736 27898547 26964854 27514522 27752154 8641585 1407644 1406564 citrate N/F N/F N/F N/F N/F 474458665 390054573 565094264 733362282 1284108555 1292863463 248965349 132859198 263707571 426084598 1159856227 823309674 401268831 364212004 677205475 551706480 1429440112 1234232502 363656697 373556905 607362952 637597439 1059102919 1074977927 717900639 665439257 791337438 835774337 804713252 281651991 22177480 30408137 citrulline N/F N/F N/F N/F N/F 31673153 30848946 49701929 44696564 61374460 62688060 24917201 39595364 40269167 43807950 61548338 63437014 34784284 37615633 48991343 52086614 64113893 74297719 36825900 37575943 49522053 50904918 73658415 81060269 65248738 62992541 57862923 55803708 56652779 28570663 8557118 6411918 CMP N/F N/F N/F N/F N/F 2316745 2247220 4479812 4522125 11537727 12142514 3195811 2984871 5283407 5043808 12403244 12022403 1902192 1908273 3476244 2586070 10816628 10216984 1797928 2130888 3937335 3792871 10007079 10811907 5984321 5914032 5842431 5898501 5586445 2090350 577406 564136 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 Coenzyme A N/F N/F N/F N/F N/F N/F N/F N/F N/F 3133954 3128759 N/F N/F N/F N/F N/F N/F N/F 451542 939014 1182051 1756385 2785405 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F creatine 592197 2745775 1143838 14015188 7407121 20135119310 19455738825 27442134579 27422733388 37901737994 38475055709 23264447421 22124929133 29415095480 32009369345 41763753282 42949234836 18662148112 19886849950 27179171127 26937813080 39082332774 39734168035 19391873028 19649384505 27206487841 26755835488 37809491960 39282984933 31719801173 31370451077 31324136035 30444008348 30238410284 18026610272 7593364416 7294355682 creatinine 570259 1595797 N/F N/F N/F 141644113 148647252 296184104 277078121 636450024 665223616 544187980 425529522 885439723 840114566 1546368639 1604018915 158027056 162342389 305039990 257605465 724270405 755988379 38669130 36342146 76721985 74084411 175472240 169092678 347521971 300615018 305370901 300292054 296672094 132426724 36855115 35835173 CTP N/F N/F N/F N/F N/F 3102602 2727767 3507556 5397619 8720337 9067724 381010 138594 303077 833026 1138629 640551 3463713 2088461 6396911 3740855 14531927 8872784 2710577 2683020 4549284 5247697 6895713 7918544 3313498 3240978 4218003 4927407 4610474 1231828 198080 258908 cystathionine N/F N/F N/F N/F N/F 2070523 1763377 4207862 4244645 11207508 11763469 1748191 1931742 4159706 4040203 12827198 13173692 1848382 2144068 3512766 3825121 9071128 9654515 1889441 2000013 4050245 4294095 10229739 11608274 5765025 5682771 5482131 5348815 5064161 2031202 566251 646436 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 cysteine-glycine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 365846 647610 3022434 1172757 6898020 6751625 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F cysteine_13C3_15N1 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 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 cystine N/F N/F N/F N/F N/F 1475031 1717197 1703375 2185763 2719474 3258867 3023145 1159724 1263561 4888535 4157846 3328386 2045946 1104080 4945955 3412471 2018092 2186312 3465041 777137 74061 N/F N/F 163151 1573747 1325834 1414924 1447225 1426090 691304 103088 100119 cytidine N/F N/F N/F N/F N/F 6027931 6046076 14210805 11770299 31629690 32600793 6043749 5128834 11345992 15692931 30980839 34124743 6365437 5183869 14118683 14893977 34690540 44782359 8332520 8723148 14009816 13099328 37819110 46443595 26909393 21715951 18367291 16784956 17932369 6142591 1872886 1388116 cytosine_unc N/F N/F N/F N/F N/F 1034003 2118959 1969187 2193197 2880890 3384483 1831339 1460402 1694950 1548774 2393488 2816229 1245824 1096229 2729910 1536057 3970923 5554880 3826389 3323731 4840243 4521859 7406754 11305891 5785839 5931634 5545869 5657138 5561810 2235232 796278 1050259 dATP N/F N/F N/F N/F N/F 1061480 771468 1382184 1888231 3635107 3852394 N/F N/F N/F 342980 N/F N/F 941281 723335 2264191 1465501 4497639 3447132 1117108 997751 1743629 2269349 3661153 3608286 1332518 1548941 1821212 1777398 1752104 406648 N/F N/F dCTP N/F N/F N/F N/F N/F 177758 126404 239563 366521 554634 693338 20751 N/F N/F 39463 83491 41686 171637 95891 355397 206752 870178 592536 121557 91332 249265 308285 512755 708027 274215 218786 247833 360004 263840 34010 N/F N/F dCytidine N/F N/F N/F N/F N/F 15691531 14201101 27339283 27043409 67062247 69653243 18788654 17460918 35639436 38660063 79740620 83947162 12906408 16436440 32323567 29781597 68490476 74570535 13812089 15299557 27466734 26259367 60614810 71988150 45700922 41975218 39019541 38542261 38018902 13478435 3889945 3403174 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 dihydroxyacetone_phosphate N/F N/F N/F N/F N/F 974996 676085 1119177 2257684 5785142 7958009 1256670 1010502 2953423 3173981 8701768 7287993 500078 228464 1472634 1449155 2418710 2176711 357187 495157 1308052 1363956 2728979 2850948 1606804 1251607 1177436 1685236 1272352 469901 N/F N/F dimethylglicine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 22124954 N/F 9885158 N/F N/F N/F N/F N/F N/F dTMP N/F N/F N/F N/F N/F 859256 913822 1891974 1870926 4759775 6038330 1728975 1342840 2523116 2918801 10152022 7562422 799985 791239 1860291 1440217 4621653 4624360 722377 887534 1512771 1711463 3961838 4287516 1923666 1931847 1718400 2060485 1984014 405816 100718 68095 dTTP N/F N/F N/F N/F N/F 757943 773938 221895 274574 225010 159959 N/F N/F N/F N/F N/F N/F 488569 337098 399422 160274 226059 80000 493943 616389 658598 475780 215630 283332 139547 221083 216294 510872 435244 200990 90689 314300 dUMP N/F N/F N/F N/F N/F N/F N/F 68700 55695 156779 197462 122980 72597 150617 300996 536817 595406 N/F N/F N/F N/F N/F N/F N/F N/F 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 F6P_G1P_unc N/F N/F N/F N/F N/F 2020108 2213990 4192617 4218678 11073918 11426791 3151415 2826205 5795160 5301130 18577665 13262156 1735001 1674934 3916723 3408584 9669449 9338100 1958898 1913495 3556636 3378714 8717601 9417826 5228989 5034904 5056232 5107290 5016829 1720138 436126 436108 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 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 formyl_methionine N/F N/F N/F N/F N/F 170696 N/F 897785 1080400 3896997 3539514 1703076 1593563 4810755 3427484 8790635 8629526 1466476 1425444 3769353 3150330 9400100 8849290 456442 330790 1116004 1049117 3336127 3547166 1663966 1634121 1628036 1718922 1716380 566046 123352 191094 "Fructose 1,6-bisphosphate" N/F N/F N/F N/F N/F 2389207 2353581 4105366 4620040 9516131 9838747 601140 196570 316581 1817182 1697564 1369090 2017078 2176941 4459669 4065262 10207301 9052061 2377473 2403405 4761368 4332613 10143128 11439367 4095085 4051779 4330609 4545304 4093212 1318525 255835 233656 fructose N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 91531 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 12691150 9205516 16152847 16634652 35322633 38316166 15403916 17450403 29336485 21047945 47613838 49734674 6693227 7539030 12224889 12163662 29812594 30624142 6896770 6066769 11881151 11387069 27707419 28877204 18597801 18649745 17730237 18382501 17242168 8868446 4192582 4494070 gamma-aminobutyric_acid N/F N/F N/F N/F N/F 110886280 99804428 216607700 222881408 426835126 428818688 126939819 110778097 190869637 207679771 401535377 428211572 101312943 110025633 187603748 210546393 416074787 426935851 112167260 114540416 192470406 176803790 391348049 433515977 295093322 256099817 261987170 236545334 216561041 100520101 26627207 22404690 gamma-glutamyl-alanine N/F N/F N/F N/F N/F 5370058 4334037 9923313 9773226 9142804 9055702 3487701 2837997 6146718 5765172 9153450 7983172 5102969 5019751 5639910 6804660 7757451 9006574 5172168 4739177 5472389 6345902 7587282 9469744 6098993 6885845 6936957 8336737 6076581 3245214 866987 753742 GAR N/F N/F N/F N/F N/F N/F N/F N/F N/F 99324 N/F N/F 39621 N/F 60037 154407 161505 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F GDP N/F N/F N/F N/F N/F 6179866 5829424 10312748 11973453 31297905 34022880 1628796 756645 1683785 3732062 6147724 4664093 6375452 5529209 15309541 10857362 33022291 31418266 5717590 6228708 11191072 10939839 21717901 25322183 11745300 11561923 12636301 13329257 12880504 3920175 795038 912089 Glucose 6-phosphate N/F N/F N/F N/F N/F 495718 703845 1054104 951106 2147725 2674873 1138669 775631 1367237 1646310 3415699 2937457 497327 452455 1006602 830161 2030238 2227826 475416 475600 964423 770566 1991203 2455806 1280917 1233651 1368598 1357641 1226582 481735 114346 105532 glucose N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F "glutamate-13C5,15N" N/F N/F N/F N/F N/F 22934379 22058402 19589612 18845196 14420128 15615233 13038247 12962648 8755206 8805030 5384518 5811888 7035230 7803671 7250115 7199498 6407899 6005864 7169508 7886401 6884787 6626872 6013623 5923253 9276326 8567869 8693652 9384616 8679473 3981577 1573995 1605260 glutamate N/F N/F N/F N/F N/F 343237479 345814916 602813694 614626964 1194528382 1278177245 544227261 529940005 753610464 773879406 1280443061 1355058259 226704267 239269600 461167392 438927391 1115447946 1080809698 235233454 247487131 455181334 437017467 985605663 1109002841 656958939 638522058 642972109 644941563 632891002 300858987 120089694 135060381 glutamine 697785 2216201 241683 492254 712147 391350488 372037060 608559033 535477180 744207688 759833993 332230395 294170176 490302075 565960280 627605598 684510325 332730601 328386046 516254434 489798166 709954256 759645139 349674832 324524156 444852496 436244844 647063761 733624479 677782595 591003819 533354494 538891066 533769317 242273030 87961057 61689638 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 glycerate N/F N/F N/F N/F N/F 3873031375 3706169694 3675506180 3629459309 3430787895 3592327358 993282 870043 3396663 1188022 2848343 2581360 921877775 868853917 809006676 734000174 1015478592 914521786 832504391 777397269 725983572 703668861 682050892 775138025 1356307729 1369700583 1376073038 1376683212 1352740925 470444620 135851794 137896110 Glycerol 3-Phosphate N/F N/F N/F N/F N/F 18572091 18056105 32852024 33948639 75648011 83975075 19132379 16500830 30355907 32866395 74633409 78302345 16384603 16853228 32734647 29582350 87004953 81811623 15624530 16838172 29767669 30226527 72631117 81924444 44294904 43387117 43923470 43919564 41886869 15319246 3970404 4175253 Glycerophosphocholine N/F N/F 145132 1659682 862006 5868344317 5573203512 9187178638 8777912432 15065629942 16179627704 4893068144 3992387025 6927502293 8734719709 13734792983 14826393982 5975522814 6135706689 10215670980 8120679240 17274777924 16941141984 6146406514 6300440156 8786947310 8252138486 14239502778 16106580673 11373098583 10738816131 10142912949 10436471031 10091726426 4473708404 1383281240 1277606856 glycine N/F N/F N/F N/F N/F 7652022 7829200 14203702 13965008 27938580 28477748 6922262 7196785 13205390 13607521 26435091 30452259 7965991 8271347 13881107 11858673 30940192 28483597 7833691 8224502 11759478 12297330 24201348 30247705 17010614 17380082 16171358 15384933 15391553 5244786 1769578 1643101 glycine_13C2-15N N/F N/F N/F N/F N/F 847780 966192 561561 642656 N/F N/F N/F 231024 N/F N/F N/F N/F 214868 373007 N/F N/F N/F N/F 224930 314422 N/F 237468 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F GMP N/F N/F N/F N/F N/F 5034463 4803166 8554207 9028792 13767930 15346067 6240036 5271261 9405707 10547890 25725724 23259421 4028779 4486019 4752261 4122370 13578022 13935624 4548550 4892218 9167933 8745056 23349301 26942302 10937961 10812271 11174332 10642425 10732088 4089798 1076424 1113968 GSH-13C2_15N N/F N/F N/F N/F N/F 878362 N/F 2471457 2616543 3451610 3899731 N/F N/F N/F N/F N/F N/F 3120962 4098253 8482488 11827043 3017991 4170823 N/F N/F 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 209483692 227878 662490872 584917624 1543113423 1564365406 614239604 617231620 1244069490 1227787456 2736227254 2804310315 120845864 170727237 648009566 912436696 1015711443 1365919273 N/F N/F N/F N/F N/F N/F N/F 414838 642063 701583 N/F 350293 N/F N/F GSH_13C2-15N-Ellmans N/F N/F N/F N/F N/F N/F 418252 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 1386522 1467724 2507395 2399139 4560494 5538861 2127177 1960793 1891174 1960454 1811160 464944 62030 85458 GSH_Ellmans N/F N/F N/F N/F N/F N/F 23591366 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 41810376 43055151 96965161 90714472 245931144 294027001 102189105 94013403 96678247 92962829 90147219 23664342 4674337 4483397 GSSG N/F N/F N/F N/F N/F 61941761 11777804 100083290 114839810 216873346 252378122 12301722 3075616 4170164 15641003 16093013 18163809 7429629 6902945 22881025 11758164 72025276 87299322 3214757 4076200 5036936 5626141 8436981 18225823 27024302 24060744 24333480 25103472 25274276 7827285 2054398 2041913 GTP N/F N/F N/F N/F N/F 6381152 4791766 6134278 9398984 12211949 13718877 251254 111133 306838 880451 1014396 635587 6359666 3886965 11277194 7155535 22474536 12975598 5115141 4649419 7138303 7878595 9723452 12385245 5137088 5045442 6587522 7592196 6843645 2014962 378046 429212 guanidinoacetate N/F N/F N/F N/F N/F 515955 1324760 619009 1044152 N/F 699111 N/F 665370 N/F N/F N/F N/F 2200398 1991677 2778908 N/F 2459471 1757660 2586527 1601714 3465292 3073482 4245080 3688480 3061197 2612945 2863246 3051891 3214887 1567547 401059 465445 guanine N/F N/F N/F N/F N/F 8139968 11507510 11303852 11145399 24366037 24844939 6240098 4410175 9018718 11535276 25702435 24809562 6266618 7016119 16812218 11586742 20906912 27224321 16978173 14950252 22632692 20909364 36259234 44519290 21972305 22979183 24757747 25437299 27387296 12534862 2958508 3379378 guanosine N/F N/F N/F N/F N/F 1038375 1280176 2257611 1633170 4950275 4030503 944258 1206032 2142881 1892481 4556487 4809446 1187268 1083192 2751677 2091850 4237221 5817383 1608475 1970182 2978144 2753366 6594204 5414562 3148460 2990410 3752371 3017126 2834278 1518814 381216 509469 histidine-13C6-15N3 N/F N/F N/F N/F N/F 17170383 14519368 10102736 8738883 1797845 2149256 102571946 104143772 68261192 73270519 34982942 35695054 191035145 194140609 136970694 146878722 64788709 73856416 168132629 183614809 126231306 128101292 68038253 70259034 86806663 81043534 75045449 65315860 67332147 49602551 28973168 24941794 histidine N/F N/F N/F N/F N/F 230688627 230039124 344255658 312258510 460343977 453000176 258431977 270385190 343167247 334797023 486798647 523036167 194863175 244279209 330651784 348385330 487895447 536523648 225948331 221032005 306907616 287325800 468555136 526102095 437475644 390326444 367050762 353258134 363670224 243496737 130700434 108692470 homocitrulline N/F N/F N/F N/F N/F 1816223 1544320 2795376 2482052 4891171 4697730 1221423 1310035 2173485 3009207 5220561 4859998 1805944 1926631 2694014 3046167 5152842 5954424 1829468 1622916 2803812 3018451 5576554 5423894 4640792 3753919 3169187 3220815 3586029 1446206 350289 237695 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 hydroxyproline_gammaALA N/F N/F N/F N/F N/F 36063971 35055537 64984640 65179522 142864019 147583787 42313145 50727254 92516930 66038661 155977264 169284614 33276431 33323553 57765723 55957580 141083554 140016107 31607896 33806058 59148315 58685818 126318853 140461639 80479945 79948028 80445313 79563344 78423930 32307049 10017391 11535517 hypotaurine N/F N/F N/F N/F N/F 1279725 1050555 4302938 9311356 39540973 33265023 20724414 24634467 56502038 45672827 121142729 123209341 26048322 28551561 58903427 54372861 130286382 138109337 21028590 18904931 43451416 41082784 102264670 106675737 61467844 52426566 53043512 51160272 51592648 17399392 4189517 3557227 hypoxanthine N/F N/F N/F N/F N/F 34395235 29627028 60609238 62030171 207497526 217394814 36531718 29930566 63364759 88466998 275709879 253776878 25777532 26738186 86805641 84208934 207674127 243689839 22575831 19816463 47844734 45849716 156153513 163491462 107893832 107474607 101305795 103972301 100095851 46724996 13580824 14198353 IMP N/F N/F N/F N/F N/F 17404198 16007886 33709193 35700380 107704085 117923784 15652882 12256060 25378120 34018002 107881393 97218024 17290820 17234994 42674012 39992377 114424927 116594679 22927595 21384648 46345342 46940985 125068915 124281107 58511976 56363189 59608176 57797457 56659947 18204995 4231002 4675663 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 inosine N/F N/F N/F N/F N/F 4565209 3780793 6695459 6309929 14098707 15919161 2377058 2337458 4627801 4713671 10441694 9213653 2903935 2748578 7172834 7409878 14529666 15384907 3104703 2948116 5711224 4978132 12461940 13820365 7403925 8244477 8666559 8799858 8621056 3218297 579107 728655 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 Isoleucine-13C6-15N N/F N/F N/F N/F N/F 178031466 169995889 201613364 162723139 160578799 160725027 77394055 82379012 81344522 84793739 68414102 75313815 80357072 93324514 84836509 88151154 80100167 91999730 95864211 92337234 88669965 85942310 76811655 87449880 147394643 110447318 99241854 100262527 97801634 33175723 12673354 9797082 isoleucine N/F N/F N/F N/F N/F 179160630 183766364 404410285 351343955 847210199 886712554 215878168 205580077 442358981 489516493 920377136 1039552769 166991810 182808461 344360409 339783569 889008418 1015528983 199452405 186949438 352238203 333249425 797389781 1001569763 640388625 488261413 459857741 457593561 456886405 153823437 51342086 44998936 Itaconic Acid N/F N/F N/F 1301063 N/F 8204469 13237165 9824738 7208039 5835293 6940779 2547896 2203187 5964765 3110673 3972267 4703156 750498817 903526123 1267642107 1445685380 798732918 1006467053 1230954542 1174698733 1356458606 1280446516 1265671936 1324748637 738500271 718245332 709229643 712244246 676186213 368128197 195686412 192712374 Kynurenic Acid N/F N/F 19578 17360 28879 N/F N/F N/F 198756 560047 779542 385945 357109 577696 912353 1088946 1207689 N/F 384514 797283 543066 1080879 1115192 339288 267765 524358 384958 890135 1053859 906078 567809 567658 496829 484974 247584 N/F N/F kynurenine N/F N/F N/F N/F N/F 2606689 2409783 5710458 6377472 15727693 13969736 4113964 3741061 8894063 10036401 24319929 26045135 2582137 2825841 7059309 7212198 11383169 13514636 5610825 6403654 11410044 11113125 27131978 32698324 14183745 11014861 10787926 10111465 9783637 3142688 715296 822527 lactic_acid N/F N/F N/F N/F N/F 611773871 669231385 1108689397 1204529115 2489998766 2745970878 1023347439 813753476 1370993988 1785620407 2910780989 2865685038 636139153 581953702 1353341834 1137150144 2675799420 2592137535 845739505 742725525 1207856456 1133112923 2522475671 2786883254 1451241800 1627412407 1623575622 1601311077 1588324533 622565653 154773138 167942599 leucine-13C6-15N N/F N/F N/F N/F N/F 173120246 155340901 182833835 162676404 160129781 164885688 73939478 72487334 70928235 76960783 61684523 65101777 83650713 93726992 91260390 89468675 79641905 92440930 111924869 110740457 101803329 101510211 87789569 101299916 142233835 113085277 105868351 100384443 100457140 33083836 11161359 8691580 leucine N/F N/F N/F N/F N/F 163144793 153432278 337610419 326520061 780519734 831113133 186717228 173095488 328998696 408506847 760808878 796441194 150135824 168727095 324432399 324563426 797517786 858950496 217282860 206291099 373041416 359897900 814529422 1024482192 570493187 461951230 449943693 411785535 404305697 136634287 41160849 39691890 lysine-13C6-15N2 N/F N/F N/F N/F N/F 59692896 49586307 57844798 51166970 46441662 45762206 16164179 14335497 13900877 15465644 13096934 12003335 31564292 26515622 34409680 24899588 30207718 28594074 31588483 32838770 27131664 31522616 21780748 27313197 42064752 29086532 28906308 29969042 31669319 10757277 4392473 3290090 lysine N/F N/F 203826 81984 168743 17782802 14392927 33713363 29325870 67238435 69421238 19576638 16660852 30912695 37630115 75610735 68000573 16958529 13164384 36635132 25587196 79643903 76968175 19005875 17675130 27990158 30722820 57934888 78555056 54765376 37765672 36757995 38620326 40914464 14600479 6045685 4449813 malate N/F N/F N/F N/F N/F 133236039 135034528 209735654 215315513 413567283 427293334 169086918 190887697 317018494 257929181 494335318 525677841 84821385 91405616 134020325 130561324 327819961 326241790 75191599 80711062 130965059 127906735 280476027 292628668 200755014 203979563 197576197 198581256 182406595 97712493 51406886 52129974 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 mannose N/F N/F N/F N/F N/F N/F N/F N/F N/F 1937837 2452599 1354378 931425 2087459 2460467 8131074 5982516 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Methionine sulfoxide N/F N/F N/F N/F N/F 206067496 205207480 388220273 294636400 493127559 549541684 27818814 13750337 26516817 52833247 85508513 92450946 60738167 66016604 97338172 93581742 238308282 268166087 61460052 56319781 91138157 89580439 173040615 230422858 286962836 220065226 199114356 193802777 193981861 63046527 15746129 11154562 methionine-13C5-15N N/F N/F N/F N/F N/F 15025786 11716928 27622151 33563718 49341094 40942702 85453232 99204571 100637135 104638129 78995744 87824997 86983509 97790509 101243011 105696705 86033714 103999460 101560641 107053882 103786134 106367601 99247764 116552071 123208522 91589402 78260723 75261931 77661988 29750640 10908605 7751799 methionine N/F N/F N/F N/F N/F 10330309 8342995 39372869 47843363 170225217 147460432 77260357 85489060 179702990 193563047 337939744 391199076 57854656 62421813 133530925 137808600 284696795 347438930 70179131 72429961 137980635 132826858 316961260 414687337 236512316 172981715 153199582 145714988 148884892 60327127 22437600 15703485 methylthioadenosine N/F N/F N/F N/F N/F 12351810 13037813 36701522 33754879 82598824 90870761 48749770 39695994 75167687 93618368 137935466 154345382 34499658 35735874 71709968 66808304 137562544 166859333 37081675 31321934 48418858 45994849 104671399 126603061 101385822 70976427 70266865 65745910 68501018 27697691 9406234 8130121 myo-inositol N/F N/F N/F N/F N/F 114015820 118095738 239122498 226024080 566754906 588657446 121251543 122812321 242360092 233309101 571077429 597683650 109160005 117259921 219777821 193624957 561631487 554100896 110531258 113055155 221412314 205737412 490790734 552647147 294447322 296634652 292594481 292914086 281883146 102992464 40037094 39452229 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-acetylglutamate N/F N/F N/F N/F N/F 431897 294686 303519 N/F N/F N/F N/F N/F N/F N/F N/F N/F 3664297 4016926 3839796 2416651 4597631 4941410 3891687 3989731 3182623 3706817 2365650 6426053 3840136 3351077 1998537 2038154 2952933 671527 304282 77438 N-acetylglutamine N/F N/F N/F N/F N/F 3071361 2698485 2139104 1542663 3516865 2634406 1385687 1254983 2104364 2420257 4530135 4350723 5818146 6143416 3821978 1689500 6212219 5979277 6668156 8191955 3035280 4102879 4245211 9766918 5504480 4482771 4047597 3293762 2914951 2114441 537893 722297 N-acetyllysine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/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 406983 N/F 85223 120686 390101 527266 681951 999926 N/F N/F 329222 328630 555396 863509 41464 147135 239167 177097 543263 643184 498619 428984 320411 280065 210914 128400 N/F N/F N-acetylornithine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N-acetylphenylalanine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 411438 422214 396951 N/F N/F N/F N/F N/F N/F N/F N/F 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 155840979 158479661 288357999 294949133 609848964 686199223 146955292 122667741 219392537 300910383 587454046 570095920 150221288 145589575 282402929 279190484 665870184 664919198 150370725 160467953 291393970 263366065 580007931 707597554 399637942 367883457 355440601 361492931 344356003 124465981 31700314 29319648 NADH N/F N/F N/F N/F N/F 3425283 3330715 9778688 6706244 24953582 21155305 67222 508995 1651880 438959 8986653 6431771 N/F 290313 213129 N/F 8327767 14080544 1527527 2386737 5964117 5260288 15129210 17423729 7444426 6071576 6536282 7078335 6419459 2023823 933459 1038279 NADP N/F N/F N/F N/F N/F 4272406 4342513 9007929 8687069 16018945 18748150 1234570 111360 353088 3692414 1943533 2023673 3653914 3087178 8728051 8290354 18646664 18709179 3215734 3046268 5460823 4812883 11730852 14036968 6840287 6250370 6971418 6258402 5890011 2351455 539181 439200 NADPH N/F N/F N/F N/F N/F 595469 270622 162727 220073 2053031 1274320 N/F N/F N/F N/F N/F N/F N/F 560185 90952 48745 429319 534038 695827 756079 1634711 1586625 2960465 4845185 1348248 1185129 1238569 1137041 756136 352009 92907 137388 niacinamide N/F N/F N/F N/F N/F 74600324 67593793 133330071 93211103 185121678 193898845 85126450 74078458 132546903 204723739 226697837 255978821 62250143 69823847 110143524 110710563 216316443 263628827 59515852 53155078 94588980 78639023 187409295 215476174 198129849 141736328 124399571 119178337 119809227 46019831 16444604 11727392 Nicotinic Acid N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F O-phosphoethanolamine_unc N/F N/F N/F N/F N/F 1568763 1668117 3069044 3219687 7902397 8017308 1739318 1611025 3271702 3125225 8631342 8368978 1017954 1180923 2105741 1673486 5824378 6544082 1132433 744909 1790453 1913902 6011873 6044808 3694219 3284064 3256070 3713429 3130684 1279182 265454 357134 ornithine N/F N/F N/F N/F N/F 40116373 31614873 58391009 56910295 97196581 94454466 39127295 30332551 58171729 67434642 115172764 101969788 32299665 29556543 56939510 47814172 103050018 104664969 37132483 38380902 54476987 60868148 103248199 131424298 92778253 66050315 71100844 72347731 77741071 27527659 10928852 9556816 orotate N/F N/F N/F N/F N/F 4497049 3708167 4966454 5052569 7936602 6822134 2936338 2224533 4805938 5406489 10227871 9468612 9982389 8768572 11714419 9839953 12740017 11685878 8073218 8163919 8481407 8557758 9993574 10769517 8487201 8037739 7979312 8597191 8393325 4557047 2113301 1776019 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 palmitate N/F 2421896 N/F N/F N/F 20173848 25491046 29074636 26094888 46846165 43181453 4563265 33197829 44854899 14609654 11605773 13792966 26645119 23469199 34663071 30310854 48708372 49897995 55568116 40028299 47350337 53736938 44296126 69082016 29991289 32215636 31526758 31686562 33435543 11333114 7735291 7311801 Pantothenate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 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 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 78046 N/F N/F N/F N/F N/F N/F N/F N/F N/F 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 N/F N/F N/F N/F N/F 475425551 451346629 553638068 444560394 421211049 429198978 176128714 174694564 179351265 178072398 147920537 163798357 214164049 229870247 226172750 223244057 204120568 228396807 396734653 400247265 381919507 381210117 337498104 350357370 564894707 379082814 342688711 314478626 325453594 89764997 27575600 21363725 phenylalanine 88799 N/F N/F N/F N/F 29093577 30406020 55912728 56216175 132899651 143296756 34978637 32257095 62354492 59535643 137661747 140603860 27427878 27877595 60035284 54005168 136842478 140620608 20959183 19537860 42915570 38807304 101414472 110190797 74950040 71567626 77945914 71696265 70919798 25249190 7150586 7354273 phosphocholine N/F N/F N/F 722411 338917 4132771461 4104780899 9159548743 8494665166 17538454733 18840550826 3804681314 3335279331 7526893177 8207272639 16923876320 17338846687 4516967980 4594768781 9215595471 8680365755 19834197109 19988194367 4399426847 4590429401 8451236487 8546119482 16876423099 20351749901 12756399102 11832467767 11145282147 10982096434 10868962815 3387262972 686630142 593362404 phosphocreatine N/F N/F N/F N/F N/F 389938781 397295825 793448231 805479615 1618426918 1725342498 116318082 99164465 223469864 285086421 496832760 554383127 360245306 370087601 817394191 615945541 1691487028 1652188701 352592855 365641523 678767527 653491319 1308967104 1611118009 906761858 880234614 880552123 840476367 831430734 277956912 66877247 63125080 phosphoenolpyruvate N/F N/F N/F N/F N/F 7260771 8042496 11167130 16116776 30167782 29511055 3204769 860552 1685440 4933245 23923102 11584072 5816255 5613738 11817914 9020806 29581302 24511177 4272448 6191516 11861763 12123162 25450818 26512661 13875340 13078220 15156235 16055779 15034154 3668718 251114 312363 phosphoethanolamine N/F N/F N/F N/F N/F 1289678 1389084 2459646 2506272 5953758 6832917 1335244 1069451 2739028 2749495 6485078 6837461 1179078 1130810 2928087 2702474 6426804 6952281 1470709 1462036 2685729 2868743 6578320 7048257 3425791 3542147 3606719 3547621 3652051 1211842 221901 214760 phosphoserine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 173121 209715 415191 442157 1093423 1080236 N/F N/F N/F N/F N/F N/F N/F N/F 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 Pipecolate N/F N/F N/F N/F N/F 5547331 5477438 11157851 8836524 26297137 24969266 4132337 2773014 8769049 11066709 20392100 21986615 6594680 5622339 13807803 10791965 26164366 33439361 6007280 6026104 10375083 9311867 23951466 29991175 18367190 13256140 13634026 13501027 11849827 4285648 563250 726521 proline-13C5-15N N/F N/F N/F N/F N/F 611187138 577635551 535310176 485291240 342080273 335840716 245630938 243478802 200698215 211167766 130960957 133391331 328746957 350208968 270938196 266409138 185829400 190912007 325064053 322538807 262021052 258066733 166061440 173186942 320504508 298766508 282984226 275577461 276960049 121899707 40810664 33691007 proline 490654 586523 N/F 1374363 531118 4240550927 4180107045 7781170895 7173261048 13150872956 13205898143 4179703368 3933784494 7154719256 7729728278 12458897549 12942452819 4617898635 4890379913 7374196847 7087594396 13789393201 14324618181 4421260166 4520400301 7191975005 6684563513 12095130467 13963716716 9875292111 9263962886 9004894908 8736166393 8669418676 3561863888 1139313300 970888078 propionylcarnitine N/F N/F N/F N/F N/F 104341164 106122917 215789849 203407802 480645938 484140183 116054810 105558425 223193708 216547310 475780039 517996921 106831187 112246485 224111862 199121565 519329184 545360739 51073684 52662251 99467143 92464613 226450219 257990269 242065036 227391000 231655571 226654997 222844002 91780878 23802980 24493057 PRPP_unc N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F pseudouridine_unc N/F N/F N/F N/F N/F N/F 240210 337057 168191 432571 394794 309823 184922 248883 448421 525397 474318 N/F N/F N/F 154611 N/F N/F N/F N/F 149487 96795 235176 362535 221746 N/F N/F 283287 N/F 99728 27299 39338 Pyridoxal N/F N/F 264434 N/F 227052 8194610 7981065 16565487 18377998 41255781 42234179 15531259 14736693 20007323 29845324 50905293 54507417 6509962 7349938 12226500 11908677 24236776 25087572 6895287 8407073 12808424 12478957 27231057 28138151 22139116 21970923 20264639 19110510 19592579 8529330 2746301 2543747 Pyridoxine N/F N/F N/F N/F N/F 27703143 27577549 50518448 51813819 119122657 130902846 50392445 42608672 85110958 99135486 166822012 176006863 45901994 40102849 81335535 70868054 171587297 174078941 34590683 30350476 53168356 50826643 116896410 129381656 75461621 77950313 73245634 71533309 67907191 28656534 8737135 7764873 pyruvate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 7170216 14527278 29881643 13159215 55103942 52361553 8078233 6977163 14485961 24946174 12821455 15959476 N/F N/F N/F N/F N/F N/F 15565986 11612511 14451218 N/F 11341631 7944323 2433514 2912304 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 Ribose 1-phosphate_unc N/F N/F N/F N/F N/F 211993 198619 341909 546892 1549333 1825782 470456 439328 905913 882604 2570602 2238959 146842 78434 544584 492065 1032387 1045515 146609 206035 511001 538619 1278482 1188667 648489 693723 638554 549102 582212 194833 11940 32784 Ribose_Ribulose 5-phosphate_3Me-Lys N/F N/F N/F N/F N/F 211993 198619 341909 546892 1549333 1825782 470456 439328 905913 882604 2570602 2238959 146842 78434 544584 492065 1032387 1045515 203152 206035 511001 538619 1278482 1188667 648489 693723 638554 549102 582212 194833 9226 35773 S-Adenosyl-L-Homocysteine N/F N/F N/F N/F N/F 9886949 9025495 26106204 21052089 55783515 57385267 5528750 4538040 13625119 14733849 28176669 31815347 6466015 7297961 15320879 15494643 38025781 44548728 10052238 9676048 17973797 18388393 42669681 54464874 40048184 28161116 25345521 25724398 26172849 8451761 2412531 1664800 S-Adenosyl-L-methionine N/F N/F N/F N/F N/F 416256845 376198505 670826418 642058883 871360806 982091256 628906265 571620978 878613986 982210694 1186342927 1271886770 332839028 364810976 619582847 730563339 872055229 973986379 342932800 357233171 602921373 586868772 912781386 1104291473 814357531 782484696 732171856 701225723 685048360 384772728 137186541 120775018 S-methylcysteine_unc N/F N/F N/F N/F N/F N/F N/F 116460 40620 418765 320674 15448 20919 87178 122961 250095 316476 N/F N/F 186555 139626 320847 458555 N/F 49282 89805 N/F 451036 498892 258136 200235 157303 114553 166519 N/F N/F N/F saccharopine_unc N/F N/F N/F N/F N/F N/F N/F N/F N/F 167094 N/F N/F N/F 65199 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 107248 102950 N/F N/F N/F N/F N/F N/F N/F sarcosine_unc N/F N/F N/F N/F N/F 5028920 4561803 12273442 10672302 24163947 22341800 1729525 1242584 2908336 3534081 10025849 9167146 4513962 4584106 10778144 11513340 22059985 27781114 5392879 4576016 8285910 7648271 20860486 27370632 18324813 13975654 12631000 11540313 12010343 2433311 935834 N/F Sedoheptulose-7-phosphate N/F N/F N/F N/F N/F 3110671 3040922 6502753 6144170 15566110 16792893 7231597 7309836 15070766 12392128 39755485 39026324 2399656 2740311 5601947 5179994 14275574 13958240 2773393 2939030 5749114 5207961 12559206 13876527 7708761 7421495 7684586 7803980 7727757 2771069 618062 732801 serine-13C3-15N N/F N/F N/F N/F N/F 5479042 5830283 4680373 5143679 3262314 3860364 2045417 2389331 1497221 2070371 1246772 849390 3008582 2677739 2503847 2181235 1346657 1362942 3181115 2571259 2196446 2374372 772106 1338696 3240784 2399050 2308524 2624326 1909372 920608 222759 250349 serine N/F N/F N/F N/F N/F 4615171 3563656 5120674 4617625 5971898 6133496 1323678 2335732 1577837 1023008 3545372 3920270 6188885 6140126 5665379 5253484 8456612 7722940 5798303 5853262 5431694 5429713 6883857 7642354 5112123 4717831 5076529 5136187 4878227 1629017 656243 413698 sorbitol N/F N/F N/F N/F N/F 5059227 5667747 10869394 10144241 24962451 25321433 14616100 12365809 23906815 23515456 55659860 55927147 7033726 7754300 14718687 13120987 34940154 34060821 7860799 7656381 14175833 13058752 31361072 32335720 17059345 16376290 17423050 16546624 15855315 7664573 2419102 2553487 succinate N/F N/F N/F N/F N/F 12020877 11501382 21394575 22646400 51670728 58046706 7010126 4246690 8371211 14662173 23179688 27971305 21163987 24504855 39600470 37741110 50844225 50978152 30610986 28575453 36120664 32532375 48439695 49734296 34850867 33707340 33141943 31428978 31724650 13986973 5365511 5134816 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 taurine N/F N/F N/F 865609 314861 418678333 413214695 739956026 765151199 1575762119 1696244698 782676404 766842601 1164238772 1096619520 1885868524 1995123393 335847456 340922466 681554099 631134987 1506931659 1475157763 332848552 359467395 672188739 616762098 1363356728 1502087071 874488834 890179813 869450942 872642817 868052067 363642021 159368287 160737024 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 18900 47042 44432 125410 111391 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F threonine-13C4-15N N/F N/F N/F N/F N/F 33208435 28240230 26097721 23756859 15736219 16861207 13013274 12732892 7655540 12644438 6186687 6673018 16975643 18395626 13600247 12318359 9097871 10846917 19166161 16661841 14788919 12775420 7304200 9496467 16424808 13981037 12743804 12009847 12655829 5925071 1827378 1379488 threonine N/F N/F N/F N/F N/F 40385088 42706778 66281136 58591392 122466298 147469582 50792549 44090726 68212599 95947601 148886762 155346087 59830080 49897084 78457276 80071503 145538673 167243757 46071822 33368702 66320743 50961395 125138750 148950803 127650420 97686090 77563739 77830323 73511109 30825735 11134899 9168350 thymidine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F trans-urocanate N/F N/F N/F N/F N/F 23699615 11809378 16785273 15772488 21061421 20521207 7215159 32464311 12274296 16105952 18602363 24061870 71371254 69142181 44977217 23099862 124037914 104595375 53835974 47462949 23254090 18768513 25657991 45910831 39822683 37831806 36951092 30387743 31093036 10758440 4739135 2761999 tryptophan N/F N/F N/F N/F N/F 24567773 23301361 57148603 50927808 134684016 140523487 37586076 34835586 70846178 83752973 165405021 181768794 27718645 27664174 60144693 55337767 140765571 155179209 34566748 36587141 66652432 62437405 148743601 194541566 106488902 85197817 78978331 78490597 79690831 29681048 8657853 7234295 tyrosine-13C9-15N N/F N/F N/F N/F N/F 222955462 199507293 214810020 178113175 142507447 138657502 61484994 61364277 56537945 59488620 46587059 44433739 87616904 98932622 93449902 92769216 71013738 74903615 101842461 98738033 86043863 89443870 67750878 71043966 124032322 103780538 98857183 99269274 96873763 33382094 9526765 8007430 tyrosine N/F N/F N/F N/F N/F 119913276 112195373 231812597 198695115 385878751 400567218 89534158 84570111 161558810 172763645 325055164 331024834 92873039 102925545 195620173 193927849 392386267 406207284 112132136 108820648 182886915 181550518 362960100 419796607 289314442 246009367 237277297 232319519 229502616 83566425 25603198 22012019 UDP-GlcNAc N/F N/F N/F N/F N/F 46859671 47589810 92600848 92951650 204838170 212312656 29486128 17146617 35268716 68745530 109963917 113017755 42103795 45567691 90582516 77688940 206804945 205633107 46410252 45652659 89741042 83637887 179884610 203211112 104225340 105428035 105400432 101975770 96687082 33022623 9487316 9218774 UDP-hexose N/F N/F N/F N/F N/F 10822889 10300524 20300801 21367223 50812223 54856321 13181407 4737535 10826179 31228388 86793546 58182176 10184324 10146138 21043367 17548039 52293920 47131063 10249953 10306709 19925840 18521951 42835340 46539267 22593938 22163119 23551471 22779750 22736384 7517583 1799538 1905859 UDP N/F N/F N/F N/F N/F 8702622 8992797 15854649 17888810 40572934 43559536 7622081 2349309 5967806 16088043 52968916 31499531 8527779 7874270 18117675 14850032 44983809 38688654 7959587 8589592 16199394 15793000 36080797 39185163 16849139 16726347 18412857 19163646 18985590 6175696 1389574 1460849 UMP N/F N/F N/F N/F N/F 11784884 11672471 22028417 23241898 55361342 57658492 15654759 12197167 27065328 27821217 69237586 66737700 8235899 8257755 17153032 13787170 46937613 46273598 8490731 9003823 17660936 16576058 42476524 47792063 25331115 25044633 25880506 25409721 24941541 9156001 2280439 2384352 uracil N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 790154 N/F N/F N/F N/F 655438 N/F N/F N/F N/F N/F 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 2938767 2684385 4198535 3789056 6447268 7051279 20236109 19716313 32424053 28230745 54532319 58645418 800793 633491 1829569 1466885 4193280 4484712 751679 614934 1488207 1302461 4326130 4726031 2752128 3078529 2610073 3193076 2822159 1278510 1131236 1153110 uric acid N/F 75808 N/F 70773 61783 9717310 9533812 19631637 20467220 42103476 45110337 31565734 33298459 56877354 60392104 121683943 116424282 4483808 3901720 8417892 8339905 21378845 21851063 4480504 4705977 8747133 8293541 19805025 22529929 13205753 13345386 12581531 12829472 12713255 6255632 3261494 2894750 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 31242 43969 146702 137145 446702 357508 112046 52062 155922 128625 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F UTP N/F N/F N/F N/F N/F 10126349 8042588 11104928 16814659 27328714 28344934 854818 322782 872389 2254215 4125986 2334296 10053606 6524689 18892871 10963620 43365007 26565316 8293863 8480001 14484402 16382523 23250582 25041450 10502517 10264437 13418562 15518284 14545867 3821053 692662 907554 valine-13C5-15N N/F N/F N/F N/F N/F 88366497 82109117 96189194 80944481 74760403 75457060 30821513 31643987 30963440 36635797 26365656 29915496 36689558 43089404 42523463 44553516 35985613 44959506 44632071 41701284 42678404 41860277 36814267 42609699 65098231 49576766 46285757 45986185 45749612 15085300 4874526 3623870 valine N/F N/F N/F N/F N/F 39593046 51251368 110958201 95491579 225886506 227262029 50289908 53527931 87912461 104204909 183525971 227582446 51035844 73096972 118206852 123925885 223307490 254771579 74849165 61261681 136237598 103688268 215723362 262541884 161651834 128837547 123389108 116490005 113398007 41656788 13193861 9821573 xanthine N/F N/F N/F N/F N/F 1192366 1447191 2253045 2339808 4677360 5673714 5864577 3295593 4974157 8390464 11775095 10428920 632167 583536 1333173 1118043 2265996 2084576 738336 405778 1087741 834269 2146104 2151890 1686616 1892034 1602093 1626273 1600565 893230 416006 350324 xanthosine_unc N/F N/F N/F N/F N/F N/F 37647 82575 75351 207080 240808 95015 92521 188720 162500 505644 439927 32959 N/F 59522 74987 203614 220105 25284 27477 73367 N/F 196171 246422 117620 101364 96188 101653 123118 18452 N/F N/F MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name 1-methylnicotinamide "2,3-BPG_unc" 2-aminobutyric_acid 2-hydroxybutyric_acid 2-hydroxyglutarate 2-oxoadipate_unc 2-oxobutyric_acid_unc 3-hydroxybutyric_acid 3-hydroxyisobutyric_acid 3-methyl-2-oxopentanoic_acid 3-phosphoglycerate 3-ureidopropionate 5-Hydroxyindole-3-Acetate_unc 6-phosphogluconate acetoacetate Acetyl CoA acetylalanine acetylaspartate acetylcarnitine acetylglutamate acetylglycine acetylserine adenine adenosine_unc ADP-ribose_unc ADP AICAR alanine-13C3-15N alanine allantoin alpha-keto-isovalerate Alpha-Ketoglutarate Alpha-Lipoic Acid_unc amidoadipate AMP anserine_unc arginine-13C6-15N4 arginine argininosuccinate_unc ascorbate_unc asparagine aspartate-13C6-15N4 aspartate asymmetric dimethylarginine (ADMA) ATP beta-alanine betaine biotin Butyrylcarnitine C5 Carnitines cAMP_unc carnitine carnosine CDP-choline CDP choline cis-aconitate citrate citrulline CMP CoA-Ellmans_unc Coenzyme A creatine creatinine CTP cystathionine cysteic_acid cysteine-glycine cysteine_13C3_15N1 cysteine_unc cystine cytidine cytosine_unc dATP dCTP dCytidine dihydroorotate_unc dihydroxyacetone_phosphate dimethylglicine dTMP dTTP dUMP erythrose_4-phosphate_unc F6P_G1P_unc FAD folic_acid formyl_methionine "Fructose 1,6-bisphosphate" fructose fumarate gamma-aminobutyric_acid gamma-glutamyl-alanine GAR GDP Glucose 6-phosphate glucose "glutamate-13C5,15N" glutamate glutamine glyceraldehyde_3-phosphate glycerate Glycerol 3-Phosphate Glycerophosphocholine glycine glycine_13C2-15N GMP GSH-13C2_15N GSH GSH_13C2-15N-Ellmans GSH_Ellmans GSSG GTP guanidinoacetate guanine guanosine histidine-13C6-15N3 histidine homocitrulline homocysteine hydroxyproline_gammaALA hypotaurine hypoxanthine IMP indolelactate inosine isocitrate_unc Isoleucine-13C6-15N isoleucine Itaconic Acid Kynurenic Acid kynurenine lactic_acid leucine-13C6-15N leucine lysine-13C6-15N2 lysine malate malonyl-CoA mannose Methionine sulfoxide methionine-13C5-15N methionine methylthioadenosine myo-inositol N-acetylcysteine N-acetylglutamate N-acetylglutamine N-acetyllysine N-acetylmethionine N-acetylornithine N-acetylphenylalanine NAD+ NADH NADP NADPH niacinamide Nicotinic Acid O-phosphoethanolamine_unc ornithine orotate p-aminobenzoate palmitate Pantothenate Phenylacetyl glutamine phenylalanine-13C9-15N phenylalanine phosphocholine phosphocreatine phosphoenolpyruvate phosphoethanolamine phosphoserine Picolinate Pipecolate proline-13C5-15N proline propionylcarnitine PRPP_unc pseudouridine_unc Pyridoxal Pyridoxine pyruvate Riboflavin Ribose 1-phosphate_unc Ribose_Ribulose 5-phosphate_3Me-Lys S-Adenosyl-L-Homocysteine S-Adenosyl-L-methionine S-methylcysteine_unc saccharopine_unc sarcosine_unc Sedoheptulose-7-phosphate serine-13C3-15N serine sorbitol succinate succinyl-CoA taurine thiamine threonine-13C4-15N threonine thymidine trans-urocanate tryptophan tyrosine-13C9-15N tyrosine UDP-GlcNAc UDP-hexose UDP UMP uracil Ureidosuccinic_acid uric acid uridine UTP valine-13C5-15N valine xanthine xanthosine_unc METABOLITES_END #END