#METABOLOMICS WORKBENCH J_aldana11_20231023_073929 DATATRACK_ID:4414 STUDY_ID:ST002959 ANALYSIS_ID:AN004860 PROJECT_ID:PR001841 VERSION 1 CREATED_ON November 2, 2023, 5:50 pm #PROJECT PR:PROJECT_TITLE Transcriptional regulation of amino acid metabolism by KDM2B PR:PROJECT_SUMMARY Epigenetic and metabolic alterations in cancer cells are intertwined. The PR:PROJECT_SUMMARY concentration of metabolites can influence the activity of chromatin modifiers, PR:PROJECT_SUMMARY which in turn can act as metabolic sensors that translate changes in cellular PR:PROJECT_SUMMARY metabolism to transcriptional reprogramming. In the present study, we PR:PROJECT_SUMMARY investigated the role of histone demethylase KDM2B in the metabolic PR:PROJECT_SUMMARY reprogramming of the triple-negative breast cancer (TNBC), in which KDM2B is PR:PROJECT_SUMMARY selectively expressed at high levels. Knockdown of KDM2B in TNBC cell lines PR:PROJECT_SUMMARY reduced their proliferation rate and tumor growth in vivo. Transcriptomic, PR:PROJECT_SUMMARY proteomic, and metabolomic profiling demonstrated that the Serine-Glycine PR:PROJECT_SUMMARY pathway and One Carbon metabolism (SGOC) and other amino acid biosynthetic and PR:PROJECT_SUMMARY catabolic processes are downregulated by the knockdown of KDM2B. Additionally, PR:PROJECT_SUMMARY we see reduction of metabolites produced via these pathways (purines, PR:PROJECT_SUMMARY pyrimidines, formate, glutathione and NADPH). Importantly, the expression of the PR:PROJECT_SUMMARY enzymes involved in the SGOC metabolic pathway (e.g. PHGDH, PSAT1, PSPH, SHMT2, PR:PROJECT_SUMMARY MTHFD1L, MTHFD2 and DHFR) depends on c-MYC, NRF2, and ATF4 which our data show PR:PROJECT_SUMMARY that they are under the positive regulatory control of KDM2B. The epistatic PR:PROJECT_SUMMARY relationship between these factors, with the expression of the enzymes of the PR:PROJECT_SUMMARY SGOC pathway and the effects of the KDM2B knockdown on chromatin occupancy and PR:PROJECT_SUMMARY accessibility of the promoters of these factors is in progress and will be PR:PROJECT_SUMMARY presented. Analysis of TCGA data showed positive and statistically significant PR:PROJECT_SUMMARY correlations between KDM2B and the SGOC gene signature in TNBC patients. In PR:PROJECT_SUMMARY addition, the metabolic pathway signature that distinguishes control and PR:PROJECT_SUMMARY shKDM2B-transduced cells corresponds to the metabolic signature of a subset of PR:PROJECT_SUMMARY TNBCs, which have been reported to carry poor prognosis. The present study PR:PROJECT_SUMMARY highlights the role of the epigenetic factor KDM2B as an upstream regulator of PR:PROJECT_SUMMARY the metabolic reprogramming of TNBC. PR:INSTITUTE The Ohio State University PR:LAST_NAME Aldana PR:FIRST_NAME Julian PR:ADDRESS 460 W 12th Ave, Columbus, OH PR:EMAIL aldanaaroca.1@osu.edu PR:PHONE 6142180748 #STUDY ST:STUDY_TITLE Transcriptional regulation of amino acid metabolism by KDM2B ST:STUDY_SUMMARY Epigenetic and metabolic alterations in cancer cells are intertwined. The ST:STUDY_SUMMARY concentration of metabolites can influence the activity of chromatin modifiers, ST:STUDY_SUMMARY which in turn can act as metabolic sensors that translate changes in cellular ST:STUDY_SUMMARY metabolism to transcriptional reprogramming. In the present study, we ST:STUDY_SUMMARY investigated the role of histone demethylase KDM2B in the metabolic ST:STUDY_SUMMARY reprogramming of the triple-negative breast cancer (TNBC), in which KDM2B is ST:STUDY_SUMMARY selectively expressed at high levels. Knockdown of KDM2B in TNBC cell lines ST:STUDY_SUMMARY reduced their proliferation rate and tumor growth in vivo. Transcriptomic, ST:STUDY_SUMMARY proteomic, and metabolomic profiling demonstrated that the Serine-Glycine ST:STUDY_SUMMARY pathway and One Carbon metabolism (SGOC) and other amino acid biosynthetic and ST:STUDY_SUMMARY catabolic processes are downregulated by the knockdown of KDM2B. Additionally, ST:STUDY_SUMMARY we see reduction of metabolites produced via these pathways (purines, ST:STUDY_SUMMARY pyrimidines, formate, glutathione and NADPH). Importantly, the expression of the ST:STUDY_SUMMARY enzymes involved in the SGOC metabolic pathway (e.g. PHGDH, PSAT1, PSPH, SHMT2, ST:STUDY_SUMMARY MTHFD1L, MTHFD2 and DHFR) depends on c-MYC, NRF2, and ATF4 which our data show ST:STUDY_SUMMARY that they are under the positive regulatory control of KDM2B. The epistatic ST:STUDY_SUMMARY relationship between these factors, with the expression of the enzymes of the ST:STUDY_SUMMARY SGOC pathway and the effects of the KDM2B knockdown on chromatin occupancy and ST:STUDY_SUMMARY accessibility of the promoters of these factors is in progress and will be ST:STUDY_SUMMARY presented. Analysis of TCGA data showed positive and statistically significant ST:STUDY_SUMMARY correlations between KDM2B and the SGOC gene signature in TNBC patients. In ST:STUDY_SUMMARY addition, the metabolic pathway signature that distinguishes control and ST:STUDY_SUMMARY shKDM2B-transduced cells corresponds to the metabolic signature of a subset of ST:STUDY_SUMMARY TNBCs, which have been reported to carry poor prognosis. The present study ST:STUDY_SUMMARY highlights the role of the epigenetic factor KDM2B as an upstream regulator of ST:STUDY_SUMMARY the metabolic reprogramming of TNBC. ST:INSTITUTE The Ohio State University ST:LAST_NAME Aldana ST:FIRST_NAME Julian ST:ADDRESS 460 W 12th Ave, Columbus, OH ST:EMAIL aldanaaroca.1@osu.edu ST:PHONE 6142180748 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Female #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - POS_EV1_1 Genotype:Empty vector RAW_FILE_NAME=POS_EV1_1.mzML SUBJECT_SAMPLE_FACTORS - POS_EV1_2 Genotype:Empty vector RAW_FILE_NAME=POS_EV1_2.mzML SUBJECT_SAMPLE_FACTORS - POS_EV1_3 Genotype:Empty vector RAW_FILE_NAME=POS_EV1_3.mzML SUBJECT_SAMPLE_FACTORS - POS_EV2_1 Genotype:Empty vector RAW_FILE_NAME=POS_EV2_1.mzML SUBJECT_SAMPLE_FACTORS - POS_EV2_2 Genotype:Empty vector RAW_FILE_NAME=POS_EV2_2.mzML SUBJECT_SAMPLE_FACTORS - POS_EV2_3 Genotype:Empty vector RAW_FILE_NAME=POS_EV2_3.mzML SUBJECT_SAMPLE_FACTORS - POS_EV3_1 Genotype:Empty vector RAW_FILE_NAME=POS_EV3_1.mzML SUBJECT_SAMPLE_FACTORS - POS_EV3_2 Genotype:Empty vector RAW_FILE_NAME=POS_EV3_2.mzML SUBJECT_SAMPLE_FACTORS - POS_EV3_3 Genotype:Empty vector RAW_FILE_NAME=POS_EV3_3.mzML SUBJECT_SAMPLE_FACTORS - POS_EV4_1 Genotype:Empty vector RAW_FILE_NAME=POS_EV4_1.mzML SUBJECT_SAMPLE_FACTORS - POS_EV4_2 Genotype:Empty vector RAW_FILE_NAME=POS_EV4_2.mzML SUBJECT_SAMPLE_FACTORS - POS_EV4_3 Genotype:Empty vector RAW_FILE_NAME=POS_EV4_3.mzML SUBJECT_SAMPLE_FACTORS - POS_SH1_1 Genotype:shKDM2B RAW_FILE_NAME=POS_SH1_1.mzML SUBJECT_SAMPLE_FACTORS - POS_SH1_2 Genotype:shKDM2B RAW_FILE_NAME=POS_SH1_2.mzML SUBJECT_SAMPLE_FACTORS - POS_SH1_3 Genotype:shKDM2B RAW_FILE_NAME=POS_SH1_3.mzML SUBJECT_SAMPLE_FACTORS - POS_SH2_1 Genotype:shKDM2B RAW_FILE_NAME=POS_SH2_1.mzML SUBJECT_SAMPLE_FACTORS - POS_SH2_2 Genotype:shKDM2B RAW_FILE_NAME=POS_SH2_2.mzML SUBJECT_SAMPLE_FACTORS - POS_SH2_3 Genotype:shKDM2B RAW_FILE_NAME=POS_SH2_3.mzML SUBJECT_SAMPLE_FACTORS - POS_SH3_1 Genotype:shKDM2B RAW_FILE_NAME=POS_SH3_1.mzML SUBJECT_SAMPLE_FACTORS - POS_SH3_2 Genotype:shKDM2B RAW_FILE_NAME=POS_SH3_2.mzML SUBJECT_SAMPLE_FACTORS - POS_SH3_3 Genotype:shKDM2B RAW_FILE_NAME=POS_SH3_3.mzML SUBJECT_SAMPLE_FACTORS - POS_SH4_1 Genotype:shKDM2B RAW_FILE_NAME=POS_SH4_1.mzML SUBJECT_SAMPLE_FACTORS - POS_SH4_2 Genotype:shKDM2B RAW_FILE_NAME=POS_SH4_2.mzML SUBJECT_SAMPLE_FACTORS - POS_SH4_3 Genotype:shKDM2B RAW_FILE_NAME=POS_SH4_3.mzML SUBJECT_SAMPLE_FACTORS - NEG_EV1_1 Genotype:Empty vector RAW_FILE_NAME=NEG_EV1_1.mzML SUBJECT_SAMPLE_FACTORS - NEG_EV1_2 Genotype:Empty vector RAW_FILE_NAME=NEG_EV1_2.mzML SUBJECT_SAMPLE_FACTORS - NEG_EV1_3 Genotype:Empty vector RAW_FILE_NAME=NEG_EV1_3.mzML SUBJECT_SAMPLE_FACTORS - NEG_EV2_1 Genotype:Empty vector RAW_FILE_NAME=NEG_EV2_1.mzML SUBJECT_SAMPLE_FACTORS - NEG_EV2_2 Genotype:Empty vector RAW_FILE_NAME=NEG_EV2_2.mzML SUBJECT_SAMPLE_FACTORS - NEG_EV2_3 Genotype:Empty vector RAW_FILE_NAME=NEG_EV2_3.mzML SUBJECT_SAMPLE_FACTORS - NEG_EV3_1 Genotype:Empty vector RAW_FILE_NAME=NEG_EV3_1.mzML SUBJECT_SAMPLE_FACTORS - NEG_EV3_2 Genotype:Empty vector RAW_FILE_NAME=NEG_EV3_2.mzML SUBJECT_SAMPLE_FACTORS - NEG_EV3_3 Genotype:Empty vector RAW_FILE_NAME=NEG_EV3_3.mzML SUBJECT_SAMPLE_FACTORS - NEG_EV4_1 Genotype:Empty vector RAW_FILE_NAME=NEG_EV4_1.mzML SUBJECT_SAMPLE_FACTORS - NEG_EV4_2 Genotype:Empty vector RAW_FILE_NAME=NEG_EV4_2.mzML SUBJECT_SAMPLE_FACTORS - NEG_EV4_3 Genotype:Empty vector RAW_FILE_NAME=NEG_EV4_3.mzML SUBJECT_SAMPLE_FACTORS - NEG_SH1_1 Genotype:shKDM2B RAW_FILE_NAME=NEG_SH1_1.mzML SUBJECT_SAMPLE_FACTORS - NEG_SH1_2 Genotype:shKDM2B RAW_FILE_NAME=NEG_SH1_2.mzML SUBJECT_SAMPLE_FACTORS - NEG_SH1_3 Genotype:shKDM2B RAW_FILE_NAME=NEG_SH1_3.mzML SUBJECT_SAMPLE_FACTORS - NEG_SH2_1 Genotype:shKDM2B RAW_FILE_NAME=NEG_SH2_1.mzML SUBJECT_SAMPLE_FACTORS - NEG_SH2_2 Genotype:shKDM2B RAW_FILE_NAME=NEG_SH2_2.mzML SUBJECT_SAMPLE_FACTORS - NEG_SH2_3 Genotype:shKDM2B RAW_FILE_NAME=NEG_SH2_3.mzML SUBJECT_SAMPLE_FACTORS - NEG_SH3_1 Genotype:shKDM2B RAW_FILE_NAME=NEG_SH3_1.mzML SUBJECT_SAMPLE_FACTORS - NEG_SH3_2 Genotype:shKDM2B RAW_FILE_NAME=NEG_SH3_2.mzML SUBJECT_SAMPLE_FACTORS - NEG_SH3_3 Genotype:shKDM2B RAW_FILE_NAME=NEG_SH3_3.mzML SUBJECT_SAMPLE_FACTORS - NEG_SH4_1 Genotype:shKDM2B RAW_FILE_NAME=NEG_SH4_1.mzML SUBJECT_SAMPLE_FACTORS - NEG_SH4_2 Genotype:shKDM2B RAW_FILE_NAME=NEG_SH4_2.mzML SUBJECT_SAMPLE_FACTORS - NEG_SH4_3 Genotype:shKDM2B RAW_FILE_NAME=NEG_SH4_3.mzML #COLLECTION CO:COLLECTION_SUMMARY 70% confluent cultures of control and shKDM2B MDA-MB-231 cells (four biological CO:COLLECTION_SUMMARY replicates) were first washed rapidly three times with PBS at room temperature. CO:SAMPLE_TYPE Breast cancer cells CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY shRNAs in the pLKO-puro lentiviral vector, were packaged in Lenti-X 293T Cells TR:TREATMENT_SUMMARY (Takara Bio, Cat. 632180) by transient transfection, in combination with the TR:TREATMENT_SUMMARY packaging constructs psPax2 (Addgene, Cat. 12260) and pMD2.G (Addgene, Cat. TR:TREATMENT_SUMMARY 12259). Transfections were carried out using the Lipofectamine 3000 Transfection TR:TREATMENT_SUMMARY Reagent (Thermo Fisher Scientific, Cat. L3000015) and the Opti-MEM Reduced Serum TR:TREATMENT_SUMMARY Medium (Fisher Scientific, Cat. 31–985-070), according to the manufacturer’s TR:TREATMENT_SUMMARY protocol. The supernatants were collected 48h and 72h after the transfection. TR:TREATMENT_SUMMARY MDA-MB-231 and MDA-MB-468 cells were infected with the viral supernatants, in TR:TREATMENT_SUMMARY the presence of 8 μg/mL polybrene (Millipore-Sigma, Cat. 107689). Infected TR:TREATMENT_SUMMARY cells were selected with puromycin for 48h (Gibco, Cat. A11138) (10 μg/mL). #SAMPLEPREP SP:SAMPLEPREP_SUMMARY 1.5–2×106 cells per sample were treated with ice-cold methanol (80% v/v) and SP:SAMPLEPREP_SUMMARY they were snap frozen via submergence into liquid Nitrogen for 30 seconds. SP:SAMPLEPREP_SUMMARY Subsequently, they were placed on dry ice and allowed to thaw. This step was SP:SAMPLEPREP_SUMMARY repeated three times with 10 second vortex-mixing between cycles. At the end, SP:SAMPLEPREP_SUMMARY the samples were centrifuged at 11,500 g for 10 min at 4 °C, and the SP:SAMPLEPREP_SUMMARY supernatants were collected, lyophilized overnight (~14 h) and stored at −80 SP:SAMPLEPREP_SUMMARY °C. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent 1290 Infinity CH:COLUMN_NAME Agilent InfityLab Poroshell 120 SB-C18 (100 x 2.1mm, 2.7um) CH:SOLVENT_A Water with 0.1 % formic acid CH:SOLVENT_B Methanol with 0.1 % formic acid CH:FLOW_GRADIENT 0 min, 5%B; 15 min 95%B; 16 min 95%B; 17 min 5%, 25 min 5%B CH:FLOW_RATE 0.2 mL/min CH:COLUMN_TEMPERATURE 40 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6545 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS ESI configuration included a mass range from 100 to 1,200 m/z, full scan mode at MS:MS_COMMENTS a scan rate of 2 scans per second, 3000V of capillary, 10 L/min of nebulizer gas MS:MS_COMMENTS flow and 300 °C of gas temperature. MS/MS data were collected in data dependent MS:MS_COMMENTS acquisition (DDA) mode with a scan rate of 5 spectra/sec and dynamic exclusion MS:MS_COMMENTS of 30 seconds for precursor ion selection and fragmentation, using 10 to 30 V. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Relative intensity MS_METABOLITE_DATA_START Samples NEG_EV1_1 NEG_EV1_2 NEG_EV1_3 NEG_EV2_1 NEG_EV2_2 NEG_EV2_3 NEG_EV3_1 NEG_EV3_2 NEG_EV3_3 NEG_EV4_1 NEG_EV4_2 NEG_EV4_3 NEG_SH1_1 NEG_SH1_2 NEG_SH1_3 NEG_SH2_1 NEG_SH2_2 NEG_SH2_3 NEG_SH3_1 NEG_SH3_2 NEG_SH3_3 NEG_SH4_1 NEG_SH4_2 NEG_SH4_3 Factors Genotype:Empty vector Genotype:Empty vector Genotype:Empty vector Genotype:Empty vector Genotype:Empty vector Genotype:Empty vector Genotype:Empty vector Genotype:Empty vector Genotype:Empty vector Genotype:Empty vector Genotype:Empty vector Genotype:Empty vector Genotype:shKDM2B Genotype:shKDM2B Genotype:shKDM2B Genotype:shKDM2B Genotype:shKDM2B Genotype:shKDM2B Genotype:shKDM2B Genotype:shKDM2B Genotype:shKDM2B Genotype:shKDM2B Genotype:shKDM2B Genotype:shKDM2B 2-Hydroxyglutarate 15674034.05 17920917.23 17237428.62 19150508.32 17495722.06 17295941.92 18799717.23 18298544.73 16661144.58 16550042.43 16170260.64 17129039.93 7636941.684 6652542.433 5766936 7538148.865 8488097.194 7168297.497 7353223.181 5696445.449 7264394.02 8381203.124 8644135.254 8011376.923 2,5-Furandicarboxylic acid 1056575.082 1521219.856 1455962.459 1220295.922 1682773.287 1607608.332 1392351.315 1636229.44 1479522.457 1235408.721 1351003.168 1363450.512 1415653.024 1760646.826 1772753.869 1717311.548 2097940.963 1867425.254 1655817.466 1691079.085 1594324.697 1790000 1935478.854 1689650.74 8-Hydroxyguanine 1069332.52 956910.3746 853797.2294 1069321.708 976824.5056 920754.3075 847436.0803 863708.0101 812835.0395 886822.3908 841263.039 940185.757 2831105.304 2911063.323 2463125 2369192.443 2647276.701 2452576.127 2515720.412 2706689.558 2241200.349 2853876.628 2775229.785 2980069.699 Acetylcysteine 1052954.523 1178403.682 1149575.624 1516744.067 1603877.724 1549390.639 1245900.595 1476872.116 1305827.912 1794669.791 1779312.72 1615149.142 3190131.877 3000357.874 2327295.605 2259841.276 2366016.306 2290900.752 2315333.541 2333756.821 2352180.101 2305586.111 2705509.286 3105432.46 CDP-4-dehydro-6-deoxy-D-glucose 2981551.13 2547369.444 3275651.606 4392995.068 4418617.472 4630363.257 3132330.419 3113938.985 3249873.615 2950894.3 3442874.626 3450354.301 1204257.922 1244141.574 1305264 1267064.056 1275396.384 1245885.376 1211273.624 1294267.73 1422780.349 1169452.07 1413055.81 1120933.358 Cytidine 2984361.197 3128694.446 3208912.286 3707228.116 3871746.669 3496348.545 3380188.543 3643337.554 3977506.885 3488702.693 3312136.8 3389414.889 2445893.453 2798322.445 2388689.415 2976673.35 2229569.706 2914543.443 2389839.642 2525541.691 289543.563 2630684.894 2657573.77 2884234.675 D-Erythrose 4-phosphate 1979313.849 1798588.581 1689787.596 2337910.275 2239899.459 2009551.12 1824771.097 1811709.436 1576841.412 2011679.273 1898143.009 1939939.658 1491711.377 1248894.138 1262255 1240276.005 1210385.167 917070.2903 1034647.068 1112579.797 851338.7851 872960.4273 798957.3961 887852.7739 D-Glyceraldehyde 3-phosphate 1024841.048 869606.6833 938574.1126 1339961.717 1236577.751 835197.5349 929103.7662 701987.2263 487992.4818 1039198.311 1034403.915 937656.6528 0 0 0 0 0 0 0 0 0 418109.2873 0 0 Fructose 2,6-diphosphate 8390553.461 9418462.11 9710006.385 14015733.49 12978690.39 14108850.66 9044781.351 7811046.064 8484761.483 8510352.28 9348788.006 9092534.132 7279351.765 7753986.061 6892859 7285335.325 6663625.546 6445611.983 8869165.79 7408327.219 7937901.525 6544685.045 8502357.614 7063785.029 Glutathione 10487272.46 10845279.34 11203286.22 8232037.466 9066569.357 11080785.02 8195153.133 9624432.723 10801623.65 10536740.36 10868940.89 9982085.899 2878233.628 3615463.436 3666855 2553531.532 3313740.304 4104879.236 2516283.481 3423923.441 3385742.695 2402054.138 3144616.136 3247264.981 Guanine 2483878.263 3042439.712 2998848.051 3413739.224 3536560.12 3486723.848 3168799.544 3534255.591 3550853.897 3198523.948 3428352.126 3319171.895 2484615.512 2717345.329 2679744.22 2839288.426 2952400.362 3300565.566 2338628.793 2348310.695 2722187.583 2010000 2509237.408 2710481.396 Guanosine 600360.8171 754897.0142 834931.5125 781193.7181 925699.1009 976289.3383 977095.5759 1005951.284 948239.8678 850793.1179 844048.9713 860659.8235 795268.9902 758776.1678 831761.8125 759492.7913 824231.2756 938696.0164 841968.9424 867923.552 816014.3327 685712.9041 789934.7411 852932.0808 Lactose 6-phosphate 859517.4076 1045063.965 1107713.891 2831584.871 2721407.983 2621064.002 1581615.384 1535513.498 1493725.741 2016105.374 2100803.038 1894077.78 589427.7261 548349.1425 554736.1875 625283.4331 664645.1141 687975.4826 468059.444 497383.558 497758.6199 440230.3784 527533.2084 469278.6913 N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine 6006662.493 5114417.685 4067101.43 5963862.188 5688060.775 4392601.548 4513976.214 5126563.774 4284209.964 4631600.792 4387876.42 4712873.342 765177.3218 940647.3762 673537.8125 816562.627 829740.2002 642936.3068 648558.2561 706098.0767 594855.472 759890.6976 793822.9923 854054.4111 Oxoglutaric acid 651554.6339 909595.3778 780575.0059 1173955.57 1347586.738 1357535.924 1000267.377 945377.01 1020805.955 922325.6888 1133099.432 1044080.268 0 0 0 0 0 0 0 0 0 0 0 0 S-Lactoylglutathione 1969222.173 1969312.06 1970031.156 1813455.458 2060324.546 2487890.003 1489607.3 1975625.02 1962819.327 1843920.74 2120134.993 1957852.449 610398.6135 548395.026 702504.8355 574898.3328 591767.8473 765962.6895 673103.149 607660.7671 564070.6562 613014.84 635929.9915 519793.261 Thymidine 512476.5333 509427.7261 499246.324 510768.332 507979.7289 511214.986 513422.7859 529843.009 498895.068 530464.977 494488.0896 518788.0987 1093075.569 892238.1259 961335.875 1338523.445 1341182.27 1543239.11 1166942.737 1476666.852 1357213.402 1087485.481 950553.7545 919708.5757 Thymidine-5'-monophosphate 1058460.633 1105509.752 1199146.859 2119437.773 2186738.194 2535367.039 1835107.609 1396192.359 1475434 1924712.829 1817719.066 1586112.142 0 0 0 0 0 0 0 0 0 0 0 0 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Match HMDB PubChem KEGG 2-Hydroxyglutarate 2-Hydroxyglutarate HMDB0059655 43 C02630 2,5-Furandicarboxylic acid 2,5-Furandicarboxylic acid HMDB0004812 76720 C20450 8-Hydroxyguanine 8-Hydroxyguanine HMDB0002032 65154 C20155 Acetylcysteine Acetylcysteine HMDB0001890 12035 C06809 CDP-4-dehydro-6-deoxy-D-glucose CDP-4-dehydro-6-deoxy-D-glucose METPA0151 NA C01219 Cytidine Cytidine HMDB0000089 6253 C00475 D-Erythrose 4-phosphate D-Erythrose 4-phosphate HMDB0001321 122357 C00279 D-Glyceraldehyde 3-phosphate D-Glyceraldehyde 3-phosphate HMDB0001112 729 C00118 Fructose 2,6-diphosphate D-Fructose 2,6-bisphosphate HMDB0001047 105021 C00665 Glutathione Glutathione HMDB0062697 745 C00051 Guanine Guanine HMDB0000132 764 C00242 Guanosine Guanosine HMDB0000133 6802 C00387 Lactose 6-phosphate Lactose 6-phosphate HMDB0006789 440654 C05396 N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine NA 163312071 C20333 Oxoglutaric acid Oxoglutaric acid HMDB0000208 51 C00026 S-Lactoylglutathione S-Lactoylglutathione HMDB0001066 440018 C03451 Thymidine Thymidine HMDB0000273 5789 C00214 Thymidine-5'-monophosphate 5-Thymidylic acid HMDB0001227 9700 C00364 METABOLITES_END #END