{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002959","ANALYSIS_ID":"AN004860","VERSION":"1","CREATED_ON":"November 2, 2023, 5:50 pm"},

"PROJECT":{"PROJECT_TITLE":"Transcriptional regulation of amino acid metabolism by KDM2B","PROJECT_SUMMARY":"Epigenetic and metabolic alterations in cancer cells are intertwined. The concentration of metabolites can influence the activity of chromatin modifiers, which in turn can act as metabolic sensors that translate changes in cellular metabolism to transcriptional reprogramming. In the present study, we investigated the role of histone demethylase KDM2B in the metabolic reprogramming of the triple-negative breast cancer (TNBC), in which KDM2B is selectively expressed at high levels. Knockdown of KDM2B in TNBC cell lines reduced their proliferation rate and tumor growth in vivo. Transcriptomic, proteomic, and metabolomic profiling demonstrated that the Serine-Glycine pathway and One Carbon metabolism (SGOC) and other amino acid biosynthetic and catabolic processes are downregulated by the knockdown of KDM2B. Additionally, we see reduction of metabolites produced via these pathways (purines, pyrimidines, formate, glutathione and NADPH). Importantly, the expression of the enzymes involved in the SGOC metabolic pathway (e.g. PHGDH, PSAT1, PSPH, SHMT2, MTHFD1L, MTHFD2 and DHFR) depends on c-MYC, NRF2, and ATF4 which our data show that they are under the positive regulatory control of KDM2B. The epistatic relationship between these factors, with the expression of the enzymes of the SGOC pathway and the effects of the KDM2B knockdown on chromatin occupancy and accessibility of the promoters of these factors is in progress and will be presented. Analysis of TCGA data showed positive and statistically significant correlations between KDM2B and the SGOC gene signature in TNBC patients. In addition, the metabolic pathway signature that distinguishes control and shKDM2B-transduced cells corresponds to the metabolic signature of a subset of TNBCs, which have been reported to carry poor prognosis. The present study highlights the role of the epigenetic factor KDM2B as an upstream regulator of the metabolic reprogramming of TNBC.","INSTITUTE":"The Ohio State University","LAST_NAME":"Aldana","FIRST_NAME":"Julian","ADDRESS":"460 W 12th Ave, Columbus, OH","EMAIL":"aldanaaroca.1@osu.edu","PHONE":"6142180748"},

"STUDY":{"STUDY_TITLE":"Transcriptional regulation of amino acid metabolism by KDM2B","STUDY_SUMMARY":"Epigenetic and metabolic alterations in cancer cells are intertwined. The concentration of metabolites can influence the activity of chromatin modifiers, which in turn can act as metabolic sensors that translate changes in cellular metabolism to transcriptional reprogramming. In the present study, we investigated the role of histone demethylase KDM2B in the metabolic reprogramming of the triple-negative breast cancer (TNBC), in which KDM2B is selectively expressed at high levels. Knockdown of KDM2B in TNBC cell lines reduced their proliferation rate and tumor growth in vivo. Transcriptomic, proteomic, and metabolomic profiling demonstrated that the Serine-Glycine pathway and One Carbon metabolism (SGOC) and other amino acid biosynthetic and catabolic processes are downregulated by the knockdown of KDM2B. Additionally, we see reduction of metabolites produced via these pathways (purines, pyrimidines, formate, glutathione and NADPH). Importantly, the expression of the enzymes involved in the SGOC metabolic pathway (e.g. PHGDH, PSAT1, PSPH, SHMT2, MTHFD1L, MTHFD2 and DHFR) depends on c-MYC, NRF2, and ATF4 which our data show that they are under the positive regulatory control of KDM2B. The epistatic relationship between these factors, with the expression of the enzymes of the SGOC pathway and the effects of the KDM2B knockdown on chromatin occupancy and accessibility of the promoters of these factors is in progress and will be presented. Analysis of TCGA data showed positive and statistically significant correlations between KDM2B and the SGOC gene signature in TNBC patients. In addition, the metabolic pathway signature that distinguishes control and shKDM2B-transduced cells corresponds to the metabolic signature of a subset of TNBCs, which have been reported to carry poor prognosis. The present study highlights the role of the epigenetic factor KDM2B as an upstream regulator of the metabolic reprogramming of TNBC.","INSTITUTE":"The Ohio State University","LAST_NAME":"Aldana","FIRST_NAME":"Julian","ADDRESS":"460 W 12th Ave, Columbus, OH","EMAIL":"aldanaaroca.1@osu.edu","PHONE":"6142180748"},

"SUBJECT":{"SUBJECT_TYPE":"Cultured cells","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","GENDER":"Female"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"POS_EV1_1",
"Factors":{"Genotype":"Empty vector"},
"Additional sample data":{"RAW_FILE_NAME":"POS_EV1_1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"POS_EV1_2",
"Factors":{"Genotype":"Empty vector"},
"Additional sample data":{"RAW_FILE_NAME":"POS_EV1_2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"POS_EV1_3",
"Factors":{"Genotype":"Empty vector"},
"Additional sample data":{"RAW_FILE_NAME":"POS_EV1_3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"POS_EV2_1",
"Factors":{"Genotype":"Empty vector"},
"Additional sample data":{"RAW_FILE_NAME":"POS_EV2_1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"POS_EV2_2",
"Factors":{"Genotype":"Empty vector"},
"Additional sample data":{"RAW_FILE_NAME":"POS_EV2_2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"POS_EV2_3",
"Factors":{"Genotype":"Empty vector"},
"Additional sample data":{"RAW_FILE_NAME":"POS_EV2_3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"POS_EV3_1",
"Factors":{"Genotype":"Empty vector"},
"Additional sample data":{"RAW_FILE_NAME":"POS_EV3_1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"POS_EV3_2",
"Factors":{"Genotype":"Empty vector"},
"Additional sample data":{"RAW_FILE_NAME":"POS_EV3_2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"POS_EV3_3",
"Factors":{"Genotype":"Empty vector"},
"Additional sample data":{"RAW_FILE_NAME":"POS_EV3_3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"POS_EV4_1",
"Factors":{"Genotype":"Empty vector"},
"Additional sample data":{"RAW_FILE_NAME":"POS_EV4_1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"POS_EV4_2",
"Factors":{"Genotype":"Empty vector"},
"Additional sample data":{"RAW_FILE_NAME":"POS_EV4_2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"POS_EV4_3",
"Factors":{"Genotype":"Empty vector"},
"Additional sample data":{"RAW_FILE_NAME":"POS_EV4_3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"POS_SH1_1",
"Factors":{"Genotype":"shKDM2B"},
"Additional sample data":{"RAW_FILE_NAME":"POS_SH1_1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"POS_SH1_2",
"Factors":{"Genotype":"shKDM2B"},
"Additional sample data":{"RAW_FILE_NAME":"POS_SH1_2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"POS_SH1_3",
"Factors":{"Genotype":"shKDM2B"},
"Additional sample data":{"RAW_FILE_NAME":"POS_SH1_3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"POS_SH2_1",
"Factors":{"Genotype":"shKDM2B"},
"Additional sample data":{"RAW_FILE_NAME":"POS_SH2_1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"POS_SH2_2",
"Factors":{"Genotype":"shKDM2B"},
"Additional sample data":{"RAW_FILE_NAME":"POS_SH2_2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"POS_SH2_3",
"Factors":{"Genotype":"shKDM2B"},
"Additional sample data":{"RAW_FILE_NAME":"POS_SH2_3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"POS_SH3_1",
"Factors":{"Genotype":"shKDM2B"},
"Additional sample data":{"RAW_FILE_NAME":"POS_SH3_1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"POS_SH3_2",
"Factors":{"Genotype":"shKDM2B"},
"Additional sample data":{"RAW_FILE_NAME":"POS_SH3_2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"POS_SH3_3",
"Factors":{"Genotype":"shKDM2B"},
"Additional sample data":{"RAW_FILE_NAME":"POS_SH3_3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"POS_SH4_1",
"Factors":{"Genotype":"shKDM2B"},
"Additional sample data":{"RAW_FILE_NAME":"POS_SH4_1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"POS_SH4_2",
"Factors":{"Genotype":"shKDM2B"},
"Additional sample data":{"RAW_FILE_NAME":"POS_SH4_2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"POS_SH4_3",
"Factors":{"Genotype":"shKDM2B"},
"Additional sample data":{"RAW_FILE_NAME":"POS_SH4_3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"NEG_EV1_1",
"Factors":{"Genotype":"Empty vector"},
"Additional sample data":{"RAW_FILE_NAME":"NEG_EV1_1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"NEG_EV1_2",
"Factors":{"Genotype":"Empty vector"},
"Additional sample data":{"RAW_FILE_NAME":"NEG_EV1_2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"NEG_EV1_3",
"Factors":{"Genotype":"Empty vector"},
"Additional sample data":{"RAW_FILE_NAME":"NEG_EV1_3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"NEG_EV2_1",
"Factors":{"Genotype":"Empty vector"},
"Additional sample data":{"RAW_FILE_NAME":"NEG_EV2_1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"NEG_EV2_2",
"Factors":{"Genotype":"Empty vector"},
"Additional sample data":{"RAW_FILE_NAME":"NEG_EV2_2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"NEG_EV2_3",
"Factors":{"Genotype":"Empty vector"},
"Additional sample data":{"RAW_FILE_NAME":"NEG_EV2_3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"NEG_EV3_1",
"Factors":{"Genotype":"Empty vector"},
"Additional sample data":{"RAW_FILE_NAME":"NEG_EV3_1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"NEG_EV3_2",
"Factors":{"Genotype":"Empty vector"},
"Additional sample data":{"RAW_FILE_NAME":"NEG_EV3_2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"NEG_EV3_3",
"Factors":{"Genotype":"Empty vector"},
"Additional sample data":{"RAW_FILE_NAME":"NEG_EV3_3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"NEG_EV4_1",
"Factors":{"Genotype":"Empty vector"},
"Additional sample data":{"RAW_FILE_NAME":"NEG_EV4_1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"NEG_EV4_2",
"Factors":{"Genotype":"Empty vector"},
"Additional sample data":{"RAW_FILE_NAME":"NEG_EV4_2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"NEG_EV4_3",
"Factors":{"Genotype":"Empty vector"},
"Additional sample data":{"RAW_FILE_NAME":"NEG_EV4_3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"NEG_SH1_1",
"Factors":{"Genotype":"shKDM2B"},
"Additional sample data":{"RAW_FILE_NAME":"NEG_SH1_1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"NEG_SH1_2",
"Factors":{"Genotype":"shKDM2B"},
"Additional sample data":{"RAW_FILE_NAME":"NEG_SH1_2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"NEG_SH1_3",
"Factors":{"Genotype":"shKDM2B"},
"Additional sample data":{"RAW_FILE_NAME":"NEG_SH1_3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"NEG_SH2_1",
"Factors":{"Genotype":"shKDM2B"},
"Additional sample data":{"RAW_FILE_NAME":"NEG_SH2_1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"NEG_SH2_2",
"Factors":{"Genotype":"shKDM2B"},
"Additional sample data":{"RAW_FILE_NAME":"NEG_SH2_2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"NEG_SH2_3",
"Factors":{"Genotype":"shKDM2B"},
"Additional sample data":{"RAW_FILE_NAME":"NEG_SH2_3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"NEG_SH3_1",
"Factors":{"Genotype":"shKDM2B"},
"Additional sample data":{"RAW_FILE_NAME":"NEG_SH3_1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"NEG_SH3_2",
"Factors":{"Genotype":"shKDM2B"},
"Additional sample data":{"RAW_FILE_NAME":"NEG_SH3_2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"NEG_SH3_3",
"Factors":{"Genotype":"shKDM2B"},
"Additional sample data":{"RAW_FILE_NAME":"NEG_SH3_3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"NEG_SH4_1",
"Factors":{"Genotype":"shKDM2B"},
"Additional sample data":{"RAW_FILE_NAME":"NEG_SH4_1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"NEG_SH4_2",
"Factors":{"Genotype":"shKDM2B"},
"Additional sample data":{"RAW_FILE_NAME":"NEG_SH4_2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"NEG_SH4_3",
"Factors":{"Genotype":"shKDM2B"},
"Additional sample data":{"RAW_FILE_NAME":"NEG_SH4_3.mzML"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"70% confluent cultures of control and shKDM2B MDA-MB-231 cells (four biological replicates) were first washed rapidly three times with PBS at room temperature.","SAMPLE_TYPE":"Breast cancer cells","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"shRNAs in the pLKO-puro lentiviral vector, were packaged in Lenti-X 293T Cells (Takara Bio, Cat. 632180) by transient transfection, in combination with the packaging constructs psPax2 (Addgene, Cat. 12260) and pMD2.G (Addgene, Cat. 12259). Transfections were carried out using the Lipofectamine 3000 Transfection Reagent (Thermo Fisher Scientific, Cat. L3000015) and the Opti-MEM Reduced Serum Medium (Fisher Scientific, Cat. 31–985-070), according to the manufacturer’s protocol. The supernatants were collected 48h and 72h after the transfection. MDA-MB-231 and MDA-MB-468 cells were infected with the viral supernatants, in the presence of 8 μg/mL polybrene (Millipore-Sigma, Cat. 107689). Infected cells were selected with puromycin for 48h (Gibco, Cat. A11138) (10 μg/mL)."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"1.5–2×106 cells per sample were treated with ice-cold methanol (80% v/v) and they were snap frozen via submergence into liquid Nitrogen for 30 seconds. Subsequently, they were placed on dry ice and allowed to thaw. This step was repeated three times with 10 second vortex-mixing between cycles. At the end, the samples were centrifuged at 11,500 g for 10 min at 4 °C, and the supernatants were collected, lyophilized overnight (~14 h) and stored at −80 °C."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Agilent 1290 Infinity","COLUMN_NAME":"Agilent InfityLab Poroshell 120 SB-C18 (100 x 2.1mm, 2.7um)","SOLVENT_A":"Water with 0.1 % formic acid","SOLVENT_B":"Methanol with 0.1 % formic acid","FLOW_GRADIENT":"0 min, 5%B; 15 min 95%B; 16 min 95%B; 17 min 5%, 25 min 5%B","FLOW_RATE":"0.2 mL/min","COLUMN_TEMPERATURE":"40"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS"},

"MS":{"INSTRUMENT_NAME":"Agilent 6545 QTOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"ESI configuration included a mass range from 100 to 1,200 m/z, full scan mode at a scan rate of 2 scans per second, 3000V of capillary, 10 L/min of nebulizer gas flow and 300 °C of gas temperature. MS/MS data were collected in data dependent acquisition (DDA) mode with a scan rate of 5 spectra/sec and dynamic exclusion of 30 seconds for precursor ion selection and fragmentation, using 10 to 30 V."},

"MS_METABOLITE_DATA":{
"Units":"Relative intensity",

"Data":[{"Metabolite":"2-Hydroxyglutarate","NEG_EV1_1":"15674034.05","NEG_EV1_2":"17920917.23","NEG_EV1_3":"17237428.62","NEG_EV2_1":"19150508.32","NEG_EV2_2":"17495722.06","NEG_EV2_3":"17295941.92","NEG_EV3_1":"18799717.23","NEG_EV3_2":"18298544.73","NEG_EV3_3":"16661144.58","NEG_EV4_1":"16550042.43","NEG_EV4_2":"16170260.64","NEG_EV4_3":"17129039.93","NEG_SH1_1":"7636941.684","NEG_SH1_2":"6652542.433","NEG_SH1_3":"5766936","NEG_SH2_1":"7538148.865","NEG_SH2_2":"8488097.194","NEG_SH2_3":"7168297.497","NEG_SH3_1":"7353223.181","NEG_SH3_2":"5696445.449","NEG_SH3_3":"7264394.02","NEG_SH4_1":"8381203.124","NEG_SH4_2":"8644135.254","NEG_SH4_3":"8011376.923"},{"Metabolite":"2,5-Furandicarboxylic acid","NEG_EV1_1":"1056575.082","NEG_EV1_2":"1521219.856","NEG_EV1_3":"1455962.459","NEG_EV2_1":"1220295.922","NEG_EV2_2":"1682773.287","NEG_EV2_3":"1607608.332","NEG_EV3_1":"1392351.315","NEG_EV3_2":"1636229.44","NEG_EV3_3":"1479522.457","NEG_EV4_1":"1235408.721","NEG_EV4_2":"1351003.168","NEG_EV4_3":"1363450.512","NEG_SH1_1":"1415653.024","NEG_SH1_2":"1760646.826","NEG_SH1_3":"1772753.869","NEG_SH2_1":"1717311.548","NEG_SH2_2":"2097940.963","NEG_SH2_3":"1867425.254","NEG_SH3_1":"1655817.466","NEG_SH3_2":"1691079.085","NEG_SH3_3":"1594324.697","NEG_SH4_1":"1790000","NEG_SH4_2":"1935478.854","NEG_SH4_3":"1689650.74"},{"Metabolite":"8-Hydroxyguanine","NEG_EV1_1":"1069332.52","NEG_EV1_2":"956910.3746","NEG_EV1_3":"853797.2294","NEG_EV2_1":"1069321.708","NEG_EV2_2":"976824.5056","NEG_EV2_3":"920754.3075","NEG_EV3_1":"847436.0803","NEG_EV3_2":"863708.0101","NEG_EV3_3":"812835.0395","NEG_EV4_1":"886822.3908","NEG_EV4_2":"841263.039","NEG_EV4_3":"940185.757","NEG_SH1_1":"2831105.304","NEG_SH1_2":"2911063.323","NEG_SH1_3":"2463125","NEG_SH2_1":"2369192.443","NEG_SH2_2":"2647276.701","NEG_SH2_3":"2452576.127","NEG_SH3_1":"2515720.412","NEG_SH3_2":"2706689.558","NEG_SH3_3":"2241200.349","NEG_SH4_1":"2853876.628","NEG_SH4_2":"2775229.785","NEG_SH4_3":"2980069.699"},{"Metabolite":"Acetylcysteine","NEG_EV1_1":"1052954.523","NEG_EV1_2":"1178403.682","NEG_EV1_3":"1149575.624","NEG_EV2_1":"1516744.067","NEG_EV2_2":"1603877.724","NEG_EV2_3":"1549390.639","NEG_EV3_1":"1245900.595","NEG_EV3_2":"1476872.116","NEG_EV3_3":"1305827.912","NEG_EV4_1":"1794669.791","NEG_EV4_2":"1779312.72","NEG_EV4_3":"1615149.142","NEG_SH1_1":"3190131.877","NEG_SH1_2":"3000357.874","NEG_SH1_3":"2327295.605","NEG_SH2_1":"2259841.276","NEG_SH2_2":"2366016.306","NEG_SH2_3":"2290900.752","NEG_SH3_1":"2315333.541","NEG_SH3_2":"2333756.821","NEG_SH3_3":"2352180.101","NEG_SH4_1":"2305586.111","NEG_SH4_2":"2705509.286","NEG_SH4_3":"3105432.46"},{"Metabolite":"CDP-4-dehydro-6-deoxy-D-glucose","NEG_EV1_1":"2981551.13","NEG_EV1_2":"2547369.444","NEG_EV1_3":"3275651.606","NEG_EV2_1":"4392995.068","NEG_EV2_2":"4418617.472","NEG_EV2_3":"4630363.257","NEG_EV3_1":"3132330.419","NEG_EV3_2":"3113938.985","NEG_EV3_3":"3249873.615","NEG_EV4_1":"2950894.3","NEG_EV4_2":"3442874.626","NEG_EV4_3":"3450354.301","NEG_SH1_1":"1204257.922","NEG_SH1_2":"1244141.574","NEG_SH1_3":"1305264","NEG_SH2_1":"1267064.056","NEG_SH2_2":"1275396.384","NEG_SH2_3":"1245885.376","NEG_SH3_1":"1211273.624","NEG_SH3_2":"1294267.73","NEG_SH3_3":"1422780.349","NEG_SH4_1":"1169452.07","NEG_SH4_2":"1413055.81","NEG_SH4_3":"1120933.358"},{"Metabolite":"Cytidine","NEG_EV1_1":"2984361.197","NEG_EV1_2":"3128694.446","NEG_EV1_3":"3208912.286","NEG_EV2_1":"3707228.116","NEG_EV2_2":"3871746.669","NEG_EV2_3":"3496348.545","NEG_EV3_1":"3380188.543","NEG_EV3_2":"3643337.554","NEG_EV3_3":"3977506.885","NEG_EV4_1":"3488702.693","NEG_EV4_2":"3312136.8","NEG_EV4_3":"3389414.889","NEG_SH1_1":"2445893.453","NEG_SH1_2":"2798322.445","NEG_SH1_3":"2388689.415","NEG_SH2_1":"2976673.35","NEG_SH2_2":"2229569.706","NEG_SH2_3":"2914543.443","NEG_SH3_1":"2389839.642","NEG_SH3_2":"2525541.691","NEG_SH3_3":"289543.563","NEG_SH4_1":"2630684.894","NEG_SH4_2":"2657573.77","NEG_SH4_3":"2884234.675"},{"Metabolite":"D-Erythrose 4-phosphate","NEG_EV1_1":"1979313.849","NEG_EV1_2":"1798588.581","NEG_EV1_3":"1689787.596","NEG_EV2_1":"2337910.275","NEG_EV2_2":"2239899.459","NEG_EV2_3":"2009551.12","NEG_EV3_1":"1824771.097","NEG_EV3_2":"1811709.436","NEG_EV3_3":"1576841.412","NEG_EV4_1":"2011679.273","NEG_EV4_2":"1898143.009","NEG_EV4_3":"1939939.658","NEG_SH1_1":"1491711.377","NEG_SH1_2":"1248894.138","NEG_SH1_3":"1262255","NEG_SH2_1":"1240276.005","NEG_SH2_2":"1210385.167","NEG_SH2_3":"917070.2903","NEG_SH3_1":"1034647.068","NEG_SH3_2":"1112579.797","NEG_SH3_3":"851338.7851","NEG_SH4_1":"872960.4273","NEG_SH4_2":"798957.3961","NEG_SH4_3":"887852.7739"},{"Metabolite":"D-Glyceraldehyde 3-phosphate","NEG_EV1_1":"1024841.048","NEG_EV1_2":"869606.6833","NEG_EV1_3":"938574.1126","NEG_EV2_1":"1339961.717","NEG_EV2_2":"1236577.751","NEG_EV2_3":"835197.5349","NEG_EV3_1":"929103.7662","NEG_EV3_2":"701987.2263","NEG_EV3_3":"487992.4818","NEG_EV4_1":"1039198.311","NEG_EV4_2":"1034403.915","NEG_EV4_3":"937656.6528","NEG_SH1_1":"0","NEG_SH1_2":"0","NEG_SH1_3":"0","NEG_SH2_1":"0","NEG_SH2_2":"0","NEG_SH2_3":"0","NEG_SH3_1":"0","NEG_SH3_2":"0","NEG_SH3_3":"0","NEG_SH4_1":"418109.2873","NEG_SH4_2":"0","NEG_SH4_3":"0"},{"Metabolite":"Fructose 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6-phosphate","NEG_EV1_1":"859517.4076","NEG_EV1_2":"1045063.965","NEG_EV1_3":"1107713.891","NEG_EV2_1":"2831584.871","NEG_EV2_2":"2721407.983","NEG_EV2_3":"2621064.002","NEG_EV3_1":"1581615.384","NEG_EV3_2":"1535513.498","NEG_EV3_3":"1493725.741","NEG_EV4_1":"2016105.374","NEG_EV4_2":"2100803.038","NEG_EV4_3":"1894077.78","NEG_SH1_1":"589427.7261","NEG_SH1_2":"548349.1425","NEG_SH1_3":"554736.1875","NEG_SH2_1":"625283.4331","NEG_SH2_2":"664645.1141","NEG_SH2_3":"687975.4826","NEG_SH3_1":"468059.444","NEG_SH3_2":"497383.558","NEG_SH3_3":"497758.6199","NEG_SH4_1":"440230.3784","NEG_SH4_2":"527533.2084","NEG_SH4_3":"469278.6913"},{"Metabolite":"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine","NEG_EV1_1":"6006662.493","NEG_EV1_2":"5114417.685","NEG_EV1_3":"4067101.43","NEG_EV2_1":"5963862.188","NEG_EV2_2":"5688060.775","NEG_EV2_3":"4392601.548","NEG_EV3_1":"4513976.214","NEG_EV3_2":"5126563.774","NEG_EV3_3":"4284209.964","NEG_EV4_1":"4631600.792","NEG_EV4_2":"4387876.42","NEG_EV4_3":"4712873.342","NEG_SH1_1":"765177.3218","NEG_SH1_2":"940647.3762","NEG_SH1_3":"673537.8125","NEG_SH2_1":"816562.627","NEG_SH2_2":"829740.2002","NEG_SH2_3":"642936.3068","NEG_SH3_1":"648558.2561","NEG_SH3_2":"706098.0767","NEG_SH3_3":"594855.472","NEG_SH4_1":"759890.6976","NEG_SH4_2":"793822.9923","NEG_SH4_3":"854054.4111"},{"Metabolite":"Oxoglutaric acid","NEG_EV1_1":"651554.6339","NEG_EV1_2":"909595.3778","NEG_EV1_3":"780575.0059","NEG_EV2_1":"1173955.57","NEG_EV2_2":"1347586.738","NEG_EV2_3":"1357535.924","NEG_EV3_1":"1000267.377","NEG_EV3_2":"945377.01","NEG_EV3_3":"1020805.955","NEG_EV4_1":"922325.6888","NEG_EV4_2":"1133099.432","NEG_EV4_3":"1044080.268","NEG_SH1_1":"0","NEG_SH1_2":"0","NEG_SH1_3":"0","NEG_SH2_1":"0","NEG_SH2_2":"0","NEG_SH2_3":"0","NEG_SH3_1":"0","NEG_SH3_2":"0","NEG_SH3_3":"0","NEG_SH4_1":"0","NEG_SH4_2":"0","NEG_SH4_3":"0"},{"Metabolite":"S-Lactoylglutathione","NEG_EV1_1":"1969222.173","NEG_EV1_2":"1969312.06","NEG_EV1_3":"1970031.156","NEG_EV2_1":"1813455.458","NEG_EV2_2":"2060324.546","NEG_EV2_3":"2487890.003","NEG_EV3_1":"1489607.3","NEG_EV3_2":"1975625.02","NEG_EV3_3":"1962819.327","NEG_EV4_1":"1843920.74","NEG_EV4_2":"2120134.993","NEG_EV4_3":"1957852.449","NEG_SH1_1":"610398.6135","NEG_SH1_2":"548395.026","NEG_SH1_3":"702504.8355","NEG_SH2_1":"574898.3328","NEG_SH2_2":"591767.8473","NEG_SH2_3":"765962.6895","NEG_SH3_1":"673103.149","NEG_SH3_2":"607660.7671","NEG_SH3_3":"564070.6562","NEG_SH4_1":"613014.84","NEG_SH4_2":"635929.9915","NEG_SH4_3":"519793.261"},{"Metabolite":"Thymidine","NEG_EV1_1":"512476.5333","NEG_EV1_2":"509427.7261","NEG_EV1_3":"499246.324","NEG_EV2_1":"510768.332","NEG_EV2_2":"507979.7289","NEG_EV2_3":"511214.986","NEG_EV3_1":"513422.7859","NEG_EV3_2":"529843.009","NEG_EV3_3":"498895.068","NEG_EV4_1":"530464.977","NEG_EV4_2":"494488.0896","NEG_EV4_3":"518788.0987","NEG_SH1_1":"1093075.569","NEG_SH1_2":"892238.1259","NEG_SH1_3":"961335.875","NEG_SH2_1":"1338523.445","NEG_SH2_2":"1341182.27","NEG_SH2_3":"1543239.11","NEG_SH3_1":"1166942.737","NEG_SH3_2":"1476666.852","NEG_SH3_3":"1357213.402","NEG_SH4_1":"1087485.481","NEG_SH4_2":"950553.7545","NEG_SH4_3":"919708.5757"},{"Metabolite":"Thymidine-5''-monophosphate","NEG_EV1_1":"1058460.633","NEG_EV1_2":"1105509.752","NEG_EV1_3":"1199146.859","NEG_EV2_1":"2119437.773","NEG_EV2_2":"2186738.194","NEG_EV2_3":"2535367.039","NEG_EV3_1":"1835107.609","NEG_EV3_2":"1396192.359","NEG_EV3_3":"1475434","NEG_EV4_1":"1924712.829","NEG_EV4_2":"1817719.066","NEG_EV4_3":"1586112.142","NEG_SH1_1":"0","NEG_SH1_2":"0","NEG_SH1_3":"0","NEG_SH2_1":"0","NEG_SH2_2":"0","NEG_SH2_3":"0","NEG_SH3_1":"0","NEG_SH3_2":"0","NEG_SH3_3":"0","NEG_SH4_1":"0","NEG_SH4_2":"0","NEG_SH4_3":"0"}],

"Metabolites":[{"Metabolite":"2-Hydroxyglutarate","Match":"2-Hydroxyglutarate","HMDB":"HMDB0059655","PubChem":"43","KEGG":"C02630"},{"Metabolite":"2,5-Furandicarboxylic acid","Match":"2,5-Furandicarboxylic acid","HMDB":"HMDB0004812","PubChem":"76720","KEGG":"C20450"},{"Metabolite":"8-Hydroxyguanine","Match":"8-Hydroxyguanine","HMDB":"HMDB0002032","PubChem":"65154","KEGG":"C20155"},{"Metabolite":"Acetylcysteine","Match":"Acetylcysteine","HMDB":"HMDB0001890","PubChem":"12035","KEGG":"C06809"},{"Metabolite":"CDP-4-dehydro-6-deoxy-D-glucose","Match":"CDP-4-dehydro-6-deoxy-D-glucose","HMDB":"METPA0151","PubChem":"NA","KEGG":"C01219"},{"Metabolite":"Cytidine","Match":"Cytidine","HMDB":"HMDB0000089","PubChem":"6253","KEGG":"C00475"},{"Metabolite":"D-Erythrose 4-phosphate","Match":"D-Erythrose 4-phosphate","HMDB":"HMDB0001321","PubChem":"122357","KEGG":"C00279"},{"Metabolite":"D-Glyceraldehyde 3-phosphate","Match":"D-Glyceraldehyde 3-phosphate","HMDB":"HMDB0001112","PubChem":"729","KEGG":"C00118"},{"Metabolite":"Fructose 2,6-diphosphate","Match":"D-Fructose 2,6-bisphosphate","HMDB":"HMDB0001047","PubChem":"105021","KEGG":"C00665"},{"Metabolite":"Glutathione","Match":"Glutathione","HMDB":"HMDB0062697","PubChem":"745","KEGG":"C00051"},{"Metabolite":"Guanine","Match":"Guanine","HMDB":"HMDB0000132","PubChem":"764","KEGG":"C00242"},{"Metabolite":"Guanosine","Match":"Guanosine","HMDB":"HMDB0000133","PubChem":"6802","KEGG":"C00387"},{"Metabolite":"Lactose 6-phosphate","Match":"Lactose 6-phosphate","HMDB":"HMDB0006789","PubChem":"440654","KEGG":"C05396"},{"Metabolite":"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine","Match":"N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine","HMDB":"NA","PubChem":"163312071","KEGG":"C20333"},{"Metabolite":"Oxoglutaric acid","Match":"Oxoglutaric acid","HMDB":"HMDB0000208","PubChem":"51","KEGG":"C00026"},{"Metabolite":"S-Lactoylglutathione","Match":"S-Lactoylglutathione","HMDB":"HMDB0001066","PubChem":"440018","KEGG":"C03451"},{"Metabolite":"Thymidine","Match":"Thymidine","HMDB":"HMDB0000273","PubChem":"5789","KEGG":"C00214"},{"Metabolite":"Thymidine-5''-monophosphate","Match":"5-Thymidylic acid","HMDB":"HMDB0001227","PubChem":"9700","KEGG":"C00364"}]
}

}