#METABOLOMICS WORKBENCH kelleno_20220302_151332 DATATRACK_ID:3110 STUDY_ID:ST002115 ANALYSIS_ID:AN003513 VERSION 1 CREATED_ON 02-08-2024 #PROJECT PR:PROJECT_TITLE A ferroptosis defense mechanism mediated by glycerol 3-phosphate dehydrogenase 2 PR:PROJECT_TITLE in mitochondria PR:PROJECT_SUMMARY Mechanisms of defense against ferroptosis (an iron-dependent form of cell death PR:PROJECT_SUMMARY induced by lipid peroxidation) in cellular organelles remain poorly understood, PR:PROJECT_SUMMARY hindering our ability to target ferroptosis in disease treatment. In this study, PR:PROJECT_SUMMARY metabolomic analyses revealed that treatment of cancer cells with glutathione PR:PROJECT_SUMMARY peroxidase 4 (GPX4) inhibitors results in intracellular glycerol 3-phosphate PR:PROJECT_SUMMARY (G3P) depletion. We further showed that supplementation of cancer cells with G3P PR:PROJECT_SUMMARY attenuates ferroptosis induced by GPX4 inhibitors in a G3P dehydrogenase 2 PR:PROJECT_SUMMARY (GPD2)-dependent manner; GPD2 deletion sensitizes cancer cells to GPX4 PR:PROJECT_SUMMARY inhibition-induced mitochondrial lipid peroxidation and ferroptosis, and PR:PROJECT_SUMMARY combined deletion of GPX4 and GPD2 synergistically suppresses tumor growth by PR:PROJECT_SUMMARY inducing ferroptosis in vivo. Mechanistically, inner mitochondrial PR:PROJECT_SUMMARY membrane-localized GPD2 couples G3P oxidation with ubiquinone reduction to PR:PROJECT_SUMMARY ubiquinol, which acts as a radical-trapping antioxidant to suppress ferroptosis PR:PROJECT_SUMMARY in mitochondria. Taken together, these results reveal that GPD2 participates in PR:PROJECT_SUMMARY ferroptosis defense in mitochondria by generating ubiquinol. PR:INSTITUTE University of Texas MD Anderson Cancer Center PR:LAST_NAME Gan PR:FIRST_NAME Boyi PR:ADDRESS 6565 MD Anderson Blvd, Houston, TX 77030 PR:EMAIL bgan@mdanderson.org PR:PHONE 713-792-8653 PR:DOI http://dx.doi.org/10.21228/M8HD8Q #STUDY ST:STUDY_TITLE LC-MS analysis of metabolic changes induced by GPX4 inhibitor treatment in ST:STUDY_TITLE cultured HT1080 cells ST:STUDY_SUMMARY HT1080 cells were treated with vehicle (DMSO), RSL3 (10 micromolar), ML210 (10 ST:STUDY_SUMMARY micromolar), or ML162 (10 micromolar) for 2 hours. Cellular metabolites were ST:STUDY_SUMMARY then extracted and analyzed by LC-MS. ST:INSTITUTE University of Texas MD Anderson Cancer Center ST:LAST_NAME Gan ST:FIRST_NAME Boyi ST:ADDRESS 6565 MD Anderson Blvd, Houston TX, 77030 ST:EMAIL bgan@mdanderson.org ST:PHONE 713-792-8653 ST:SUBMIT_DATE 2022-03-02 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:CELL_STRAIN_DETAILS HT1080 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - HT1080_DMSO_01 Treatment:DMSO RAW_FILE_NAME=HT1080_DMSO_01.mzXML; RAW_FILE_NAME=HT1080_DMSO_01_HILIC.mzXML SUBJECT_SAMPLE_FACTORS - HT1080_DMSO_02 Treatment:DMSO RAW_FILE_NAME=HT1080_DMSO_02.mzXML; RAW_FILE_NAME=HT1080_DMSO_02_HILIC.mzXML SUBJECT_SAMPLE_FACTORS - HT1080_DMSO_03 Treatment:DMSO RAW_FILE_NAME=HT1080_DMSO_03.mzXML; RAW_FILE_NAME=HT1080_DMSO_03_HILIC.mzXML SUBJECT_SAMPLE_FACTORS - HT1080_ML162_01 Treatment:ML162 RAW_FILE_NAME=HT1080_ML162_01.mzXML; RAW_FILE_NAME=HT1080_ML162_01_HILIC.mzXML SUBJECT_SAMPLE_FACTORS - HT1080_ML162_02 Treatment:ML162 RAW_FILE_NAME=HT1080_ML162_02.mzXML; RAW_FILE_NAME=HT1080_ML162_02_HILIC.mzXML SUBJECT_SAMPLE_FACTORS - HT1080_ML162_03 Treatment:ML162 RAW_FILE_NAME=HT1080_ML162_03.mzXML; RAW_FILE_NAME=HT1080_ML162_03_HILIC.mzXML SUBJECT_SAMPLE_FACTORS - HT1080_ML210_01 Treatment:ML210 RAW_FILE_NAME=HT1080_ML210_01.mzXML; RAW_FILE_NAME=HT1080_ML210_01_HILIC.mzXML SUBJECT_SAMPLE_FACTORS - HT1080_ML210_02 Treatment:ML210 RAW_FILE_NAME=HT1080_ML210_02.mzXML; RAW_FILE_NAME=HT1080_ML210_02_HILIC.mzXML SUBJECT_SAMPLE_FACTORS - HT1080_ML210_03 Treatment:ML210 RAW_FILE_NAME=HT1080_ML210_03.mzXML; RAW_FILE_NAME=HT1080_ML210_03_HILIC.mzXML SUBJECT_SAMPLE_FACTORS - HT1080_RSL3_01 Treatment:RSL3 RAW_FILE_NAME=HT1080_RSL3_01.mzXML; RAW_FILE_NAME=HT1080_RSL3_01_HILIC.mzXML SUBJECT_SAMPLE_FACTORS - HT1080_RSL3_02 Treatment:RSL3 RAW_FILE_NAME=HT1080_RSL3_02.mzXML; RAW_FILE_NAME=HT1080_RSL3_02_HILIC.mzXML SUBJECT_SAMPLE_FACTORS - HT1080_RSL3_03 Treatment:RSL3 RAW_FILE_NAME=HT1080_RSL3_03.mzXML; RAW_FILE_NAME=HT1080_RSL3_03_HILIC.mzXML #COLLECTION CO:COLLECTION_SUMMARY Metabolites were extracted from cells in 35 mm culture plates by rapidly CO:COLLECTION_SUMMARY aspirating the culture medium and incubating the plates with 0.6 ml of an 80% CO:COLLECTION_SUMMARY methanol: 20% water mixture on a cold block on dry ice for 15 min. Next, the CO:COLLECTION_SUMMARY cell material was scraped into Eppendorf tubes pre-chilled on ice. After CO:COLLECTION_SUMMARY centrifugation at 13,000 RCF for 5 min at 4 °C, the supernatant was collected CO:COLLECTION_SUMMARY into a fresh tube and stored on dry ice until analysis. CO:SAMPLE_TYPE Cultured cells CO:STORAGE_CONDITIONS -80? #TREATMENT TR:TREATMENT_SUMMARY Cells were seeded in 35-mm culture plates. When the cell confluence reached TR:TREATMENT_SUMMARY 70-80%, cells were treated with RSL3, ML210, or ML162 for 2 hours. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY For analysis by reverse phase chromatography, just before analysis, 500 µL of SP:SAMPLEPREP_SUMMARY extract was dried under a nitrogen gas flow and then resuspended in 100 µL of SP:SAMPLEPREP_SUMMARY water. For analysis by HILIC chromatography, the extracts were analyzed SP:SAMPLEPREP_SUMMARY directly. SP:PROCESSING_STORAGE_CONDITIONS 4? SP:EXTRACT_STORAGE 4? #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY The gradient was 0 min, 0% B; 2.5 min, 0% B; 5 min, 20% B; 7.5 min, 20% B; 13 CH:CHROMATOGRAPHY_SUMMARY min, 55% B; 15.5 min, 95% B; 18.5 min, 95% B; 19 min, 0% B; and 25 min, 0% B. CH:CHROMATOGRAPHY_SUMMARY Solvent A was 10 mM tributylamine and 15 mm acetic acid in water; Solvent B was CH:CHROMATOGRAPHY_SUMMARY methanol. The injection volume was 10 µL. CH:INSTRUMENT_NAME Thermo Accela 1250 CH:COLUMN_NAME Phenomenex Synergi Hydro RP 100 A (100 x 2mm,2.5um) CH:COLUMN_TEMPERATURE 40 CH:FLOW_RATE 200 CH:SOLVENT_A 100% water; 15 mM acetic acid; 10 mM tributylamine CH:SOLVENT_B 100% methanol CH:CHROMATOGRAPHY_TYPE Reversed phase #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:MS_COMMENTS The scan range was 80-1000 m/z. Raw data files were converted to mzXML format MS:MS_COMMENTS using msconvert (ProteoWizard). Data was analyzed in the MAVEN software suite MS:MS_COMMENTS and metabolite assignments were made using a previously generated list of MS:MS_COMMENTS retention times derived from pure standard solutions. MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area (top) MS_METABOLITE_DATA_START Samples HT1080_DMSO_01 HT1080_DMSO_02 HT1080_DMSO_03 HT1080_ML162_01 HT1080_ML162_02 HT1080_ML162_03 HT1080_ML210_01 HT1080_ML210_02 HT1080_ML210_03 HT1080_RSL3_01 HT1080_RSL3_02 HT1080_RSL3_03 Factors Treatment:DMSO Treatment:DMSO Treatment:DMSO Treatment:ML162 Treatment:ML162 Treatment:ML162 Treatment:ML210 Treatment:ML210 Treatment:ML210 Treatment:RSL3 Treatment:RSL3 Treatment:RSL3 2-dehydro-D-gluconate 1681.0630 1000.0000 1358.5650 3551.6600 1550.7230 1381.7440 1581.9170 1045.4550 1585.8620 2785.9410 1380.2460 1501.7760 2-hydroxy-2-methylbutanedioate 6353728.0000 5788824.0000 6473928.0000 5649644.0000 6078020.0000 5790394.0000 6842502.0000 6451418.0000 6515564.0000 5665662.0000 6206106.0000 6323622.0000 2-keto-isovalerate 89396.9300 52462.9800 93677.7300 163184.0000 73002.4500 72975.5900 72392.2900 80587.6500 85590.5900 158797.7000 89711.1500 93519.4700 3-phosphoglycerate 82959.7000 66399.7500 61797.7700 14526.6600 55861.2300 55704.5700 52988.5300 32311.1400 49360.6700 10274.2500 54527.7500 45729.1800 4-aminobutyrate 1051829.0000 751368.5000 940448.7000 458982.6000 791705.6000 712483.8000 919933.8000 863733.8000 787778.1000 485094.7000 704948.9000 704682.7000 4-pyridoxic acid 6920.9280 6555.0210 7313.4120 7687.9060 7834.8700 6946.8810 7113.5810 8749.5170 7386.0110 5807.5130 6983.9160 7968.8870 6-phospho-D-gluconate 13898.8600 15109.2000 13286.0000 9131.5470 6144.3660 6487.5300 12368.0400 6650.9160 9545.6870 7939.9940 6772.9970 5843.9020 acetyl-CoA 3940.0630 3120.5760 3740.2120 4632.6230 4471.3680 3246.5680 7058.1030 4855.8470 4147.9940 3822.9540 3994.6150 4114.2500 aconitate 30049.6400 23157.8100 31856.7600 36402.1800 27811.4700 29275.5600 19728.2100 20046.8300 21125.9700 38008.0800 29122.9900 35380.0500 ADP-D-glucose 29761.2500 31865.2800 26542.2800 32537.3100 32962.8800 33519.3000 28631.3700 24604.9800 24146.0400 36901.2000 28697.9000 26271.0600 alpha-ketoglutarate 75807.4800 75484.1400 80732.4100 41617.2200 48035.0800 45095.5600 46820.3700 42355.7300 45775.9500 49619.8500 46083.7500 51774.9300 AMP 33701.7800 24124.1200 19677.8800 61938.4400 51308.6100 42266.7200 22037.9900 16303.9800 18979.4500 40983.6300 32649.1700 32861.3800 CDP 5475.3410 3886.7080 3794.2340 13847.0200 8704.3740 7603.7720 5758.8200 2205.7190 4415.3540 8071.8950 7120.3520 5385.4170 CDP-ethanolamine 1000.0000 1000.0000 1000.0000 6708.2850 1886.6420 2091.4110 1000.0000 1000.0000 1000.0000 3175.6370 1349.1930 1196.0670 citraconic acid 2473523.0000 2190919.0000 2460211.0000 2196881.0000 2316026.0000 2277935.0000 2690926.0000 2525847.0000 2482990.0000 2067391.0000 2344904.0000 2400170.0000 citrate 605450.2000 487248.6000 548041.2000 549674.7000 667318.2000 596350.1000 439669.1000 390053.2000 436521.1000 535308.6000 673068.9000 730447.2000 CMP 1000.0000 1000.0000 1000.0000 2984.4190 2449.7700 2049.5100 1000.0000 1000.0000 1000.0000 1937.8880 1318.9000 1369.7360 CTP 171333.5000 152276.9000 144085.9000 111531.6000 170076.3000 141852.9000 141132.1000 88589.3800 115394.1000 90945.3100 149111.0000 144360.8000 dATP 11955.1900 16061.9400 11445.3100 4208.8820 5072.2080 4405.6250 9131.7110 7859.8370 7669.9560 4544.5600 6452.7420 6419.9440 dCTP 8357.3370 7256.8630 7570.4960 1780.0310 3225.5060 2865.8290 6526.7810 3686.2890 5373.1040 2571.6180 4609.7730 3510.0310 deoxycholate 30169.1800 26195.1000 32447.4000 2897.3770 33889.4000 26136.4300 27983.4300 41518.7000 31298.9900 2377.5420 32627.4100 37121.0400 D-gluconate 5385.3150 4101.4060 17395.0200 139880.9000 4798.6780 20287.1100 3958.1450 2345.2010 2882.4320 82621.5300 2121.5090 22695.5400 dTTP 55178.6800 58307.6600 61598.7300 16848.9400 26354.3500 27895.5900 43754.7700 29751.9500 36514.0100 17608.4900 29710.0100 33334.5900 FAD 2774.6140 3228.3040 2920.4100 2804.1880 2202.8750 2925.3810 2207.4300 1883.3150 1904.9860 3364.2250 2349.6010 2744.0750 FGAR 10093.4600 8839.7980 9265.4410 1000.0000 1000.0000 1000.0000 3637.0040 2736.1090 3518.2070 2029.7400 1199.3590 1187.3040 FMN 2868.1040 2228.4270 1853.9380 1981.4150 3420.5210 1137.8190 1274.8100 1050.3000 1138.2250 1530.8540 2528.2010 1948.2640 folate 122249.3000 113728.3000 110272.7000 144103.7000 139585.6000 110311.9000 117967.4000 118783.4000 130526.9000 127344.5000 120927.9000 124637.6000 fructose-1-6-bisphosphate 119747.4000 111922.4000 102637.4000 42537.1100 40215.4300 36559.3100 77769.0900 42903.6100 64149.6200 51071.0300 51812.6000 46725.5000 fumarate 304826.0000 273098.2000 315684.5000 214720.3000 332727.8000 297920.0000 257680.1000 224452.6000 238082.1000 161948.4000 243257.2000 235058.2000 GDP 16311.8900 6524.6030 5283.9700 16106.4500 16257.3300 13259.7300 6421.2850 2835.0810 5679.0760 10903.5300 11825.6300 8788.8460 glucose-1-phosphate 11654.0000 9537.7410 10770.5300 1924.2970 3683.8490 3597.4520 6813.2100 4835.3870 7006.8810 5082.0160 5036.7300 4727.2300 glucose-6-phosphate 142936.3000 156238.8000 113090.6000 126049.8000 204029.6000 162217.7000 156783.7000 125657.8000 146841.0000 107229.1000 150329.9000 143753.0000 glutathione 104957.4000 134636.5000 124888.0000 141460.8000 52847.2100 102715.0000 119166.8000 53885.1400 36755.0700 185027.7000 81165.9400 82964.0000 glutathione disulfide 1582559.0000 1747003.0000 1427331.0000 1463436.0000 1536026.0000 1394758.0000 1590863.0000 1525242.0000 1541865.0000 1434069.0000 1479243.0000 1464677.0000 glutathione-S-sulfonate 21468.3500 23800.7600 21998.5900 29320.3000 27639.2500 24005.1400 24328.5800 22756.0200 29479.8200 24312.6000 23731.9100 25764.5900 glycerol-3-phosphate 237518.1000 191306.0000 245068.3000 56406.5200 47987.1400 51717.5000 81857.1600 70747.5100 96211.9400 89422.9100 67866.4100 69261.2000 GTP 79956.4100 85247.3700 72763.2600 48237.6400 97154.0100 73497.7000 72316.6500 37307.3000 49950.9600 36448.8200 80400.9800 74764.0900 guanosine 1000.0000 1032.2130 1000.0000 3023.7760 2918.8470 2481.4410 2029.7040 2182.3470 2728.6360 2254.5120 2775.7490 2945.8450 indole-3-carboxylate 15823.5500 15185.3500 12018.1000 6265.7730 7710.8880 5772.6210 9487.4440 7871.6320 7238.7600 5365.9230 6658.0710 7189.2060 inosine 1094.5770 1000.0000 1000.0000 6325.2360 7699.7600 5976.4900 3206.9640 2703.9360 3045.3330 3942.5760 5635.5940 4864.8440 isocitrate 49325.6800 48716.5100 56239.5100 70993.3400 55658.3000 49049.1600 37423.9800 42313.3400 34835.7100 77602.1500 54879.9400 61692.1800 kynurenine 1634.6510 1596.9160 1736.4460 2395.5230 1936.7600 1531.2050 1621.0360 2148.0030 1684.8530 1719.7950 1415.5840 1589.7150 lactate 10890810.0000 9960221.0000 9673662.0000 10156140.0000 10810970.0000 9713311.0000 10893460.0000 9583204.0000 10567000.0000 9957258.0000 10014650.0000 10723180.0000 malate 1345297.0000 1306668.0000 1374211.0000 1049075.0000 1496021.0000 1320083.0000 1236523.0000 1023372.0000 1099370.0000 787225.7000 1092492.0000 1115221.0000 N-acetyl-glucosamine-1/6-phosphate 8519.0030 6215.3400 6052.8020 13577.7600 8584.2340 8738.1400 8494.5220 6428.3630 8276.6050 11568.7700 7914.4590 8857.1710 N-acetyl-glutamate 127745.1000 122536.9000 124525.8000 204077.0000 140922.6000 147188.4000 140834.2000 148042.0000 148659.4000 192566.0000 144736.5000 137419.8000 N-Acetyl-L-alanine 20928.5300 16693.1600 22005.5400 22686.9100 19344.7100 20502.5100 28305.6800 21261.4100 19114.8000 22933.5500 20042.4200 12034.2300 NAD+ 129065.6000 120945.7000 132491.7000 121087.5000 114792.4000 119981.4000 127175.7000 113807.0000 124705.4000 119726.2000 111927.5000 116061.4000 NADH 83442.8000 92380.3800 83831.4900 74783.2000 71261.9500 72411.5300 68997.5500 66913.0900 72357.8200 68495.5400 65017.9700 63688.3800 NADP+ 10114.4500 10354.6600 9637.8010 8955.9480 10134.8600 7997.9630 6211.5620 6471.4400 6235.7760 7346.0900 7493.9410 7736.4630 N-carbamoyl-L-aspartate 71836.7700 52390.6800 85629.9500 1570.2040 1381.4540 1702.6880 18512.9300 25271.1200 25377.4500 3505.4450 2948.0400 3973.6150 Octulose-8/1-P 9460.3490 7696.6550 9416.6420 7241.0020 7740.6810 7556.6620 9356.4250 6559.7310 9151.3230 7663.2070 8112.0280 7417.5120 octulose-bisphosphate 3314.2860 2975.4210 2624.5810 1158.1200 1150.0740 1082.9350 1938.1230 1132.7340 1954.6460 1302.8990 1373.2190 1332.6060 pantothenate 1820544.0000 1589920.0000 1729170.0000 1956498.0000 1641838.0000 1511552.0000 1908789.0000 1583818.0000 2033464.0000 1755453.0000 1534896.0000 1627679.0000 pyroglutamate 12007770.0000 12037900.0000 11639610.0000 9150373.0000 12445880.0000 11205470.0000 12332970.0000 11063540.0000 11917040.0000 9901959.0000 11117630.0000 11703510.0000 pyruvate 50351.0600 32226.5900 54644.3100 93021.3400 78141.8000 63011.2300 65940.7800 56501.7100 62624.5200 68475.4400 62774.9900 69164.6400 riboflavin 4906.2800 4146.0850 4544.3240 6457.9120 5460.7290 4545.8060 4592.2880 4270.7500 4629.9000 6349.6010 5269.0360 4931.5590 ribose-phosphate 16065.1000 12027.4800 13188.5500 7504.4490 7496.2710 7141.4800 8930.6040 5879.7230 9845.6050 8258.7320 8589.4910 6723.6580 sarcosine 76220.5800 66256.8800 71316.4800 77940.1500 69550.8100 63530.7800 82882.3900 64778.3700 83698.2000 72407.7100 63677.2000 67066.0600 sedoheptulose-1/7-phosphate 8498.7310 7236.3100 8314.2950 8313.4360 6358.1600 6566.2790 8223.9280 6539.1820 8869.6520 8489.0900 7718.2560 6517.8570 sedoheptulose-bisphosphate 8430.4820 9062.6580 8066.5250 3920.4150 4169.9200 4263.8520 6560.6310 4048.0850 5728.5110 4415.3620 5405.2950 5059.1920 S-methyl-5-thioadenosine 3880.3080 3835.2400 3551.1210 6309.3870 5481.9380 5114.4110 5044.5780 4171.1840 5254.0810 4415.9610 4453.0100 4876.6130 succinate 122003.8000 137233.4000 130171.7000 287631.9000 145863.1000 118839.4000 119378.4000 115573.3000 103634.1000 240653.8000 140392.2000 136972.4000 UDP 31868.3700 27557.9400 24932.2100 43249.2500 33681.4600 30472.2100 22629.9900 11827.1200 18534.7900 28214.6900 22875.5200 21554.2300 UDP-D-glucose 685827.8000 653221.3000 669119.6000 836789.8000 613499.6000 631531.2000 521256.3000 568938.0000 580035.4000 653554.7000 564797.1000 578121.8000 UDP-D-glucuronate 808080.2000 755589.0000 826940.7000 795479.9000 631606.0000 510646.0000 629369.8000 473835.5000 511394.1000 737139.7000 556051.7000 541732.7000 UDP-N-acetyl-glucosamine 4477240.0000 3862246.0000 4418366.0000 4480544.0000 4005967.0000 4340214.0000 4294803.0000 4627858.0000 4709236.0000 5082712.0000 4406570.0000 4700096.0000 UMP 12426.1900 13183.9300 10784.9700 16134.7400 15637.4600 18486.2100 10478.4200 8447.1530 11363.7100 11790.3800 13368.0700 13349.3000 urate 10414.4600 7683.3720 7115.9850 9392.7960 12118.9400 8060.5000 13206.6800 4896.1160 11265.8600 8169.1340 11135.9600 9268.9560 uridine 1406.4700 1000.0000 1009.7170 4741.6880 3520.8950 3975.6120 2391.8280 1485.8990 2853.9410 2902.9160 3294.8460 2896.3830 UTP 658524.6000 633130.7000 621969.1000 338761.7000 418705.7000 368396.4000 424716.8000 321632.1000 349900.2000 284919.0000 330846.8000 354947.4000 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant 2-dehydro-D-gluconate 3035456 6.8 193.035 2-hydroxy-2-methylbutanedioate 441696 13.1 147.0291 2-keto-isovalerate 49 13.3 115.0392 3-phosphoglycerate 724 13.8 184.9852 4-aminobutyrate 223130 5.3 102.0551 4-pyridoxic acid 6723 14.3 182.0454 6-phospho-D-gluconate 91493 13.7 275.0177 acetyl-CoA 444493 16.1 808.1203 aconitate 643757 14.2 173.0087 ADP-D-glucose 16500 13.6 588.0754 alpha-ketoglutarate 51 13.5 145.0135 AMP 6083 12.1 346.0561 CDP 6132 13.7 402.0112 CDP-ethanolamine 123727 6.8 445.0536 citraconic acid 643798 13.1 129.0186 citrate 311 14.2 191.0194 CMP 6131 9.1 322.0449 CTP 6176 15.1 481.9779 dATP 15993 15.5 489.994 dCTP 65091 15.1 465.9829 deoxycholate 3035026 18 448.3074 D-gluconate 10690 5.3 195.0505 dTTP 64968 15.4 480.9825 FAD 643975 15.4 784.1512 FGAR 16048611 7.9 313.0447 FMN 643976 14.8 455.0979 folate 135398658 14.3 440.1329 fructose-1-6-bisphosphate 10267 14.1 338.9891 fumarate 444972 13.6 115.0028 GDP 135398619 13.9 442.0176 glucose-1-phosphate 65533 8.3 259.0227 glucose-6-phosphate 5958 7.4 259.0225 glutathione 745 8 306.077 glutathione disulfide 65359 12.9 611.1455 glutathione-S-sulfonate 444104 13.4 386.0338 glycerol-3-phosphate 439162 7.7 171.0058 GTP 135398633 15.2 521.9839 guanosine 135398635 3.4 282.0846 indole-3-carboxylate 69867 13.8 160.043 inosine 135398641 3.4 267.0738 isocitrate 1198 15.3 191.0194 kynurenine 161166 3.4 207.0771 lactate 107689 7.4 89.02343 malate 222656 13.1 133.0135 N-acetyl-glucosamine-1/6-phosphate 7115 7.8 300.0493 N-acetyl-glutamate 70914 13.4 188.056 N-Acetyl-L-alanine 76406 8.4 130.0503 NAD+ 5893 8.9 662.1031 NADH 439153 14.2 664.1188 NADP+ 5886 14.1 742.0698 N-carbamoyl-L-aspartate 93072 13 175.0355 Octulose-8/1-P 90657269 8 319.0439 octulose-bisphosphate 130470 14.2 399.0103 pantothenate 6613 11.4 218.1032 pyroglutamate 7405 7.4 128.0344 pyruvate 1060 8.7 87.00787 riboflavin 493570 12.3 375.1313 ribose-phosphate 77982 8 229.0118 sarcosine 1088 2.9 88.03945 sedoheptulose-1/7-phosphate 92042786 8.3 289.0334 sedoheptulose-bisphosphate 164735 14.2 368.9997 S-methyl-5-thioadenosine 439176 11.5 296.0825 succinate 1110 12.9 117.0185 UDP 6031 13.9 402.9954 UDP-D-glucose 8629 13.3 565.0485 UDP-D-glucuronate 17473 15.2 579.0279 UDP-N-acetyl-glucosamine 445675 13.4 606.0753 UMP 6030 10.4 323.029 urate 1175 7 167.0205 uridine 6029 2.7 243.0622 UTP 6133 15.2 482.9619 METABOLITES_END #END