{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001652","ANALYSIS_ID":"AN002699","VERSION":"1","CREATED_ON":"January 19, 2021, 3:46 pm"},

"PROJECT":{"PROJECT_TITLE":"Atypical Molecular Basis for Drug Resistance to Mitochondrial Function Inhibitors in AQ: A Plasmodium falciparum","PROJECT_SUMMARY":"In this study, we present a clear genotype for the P. falciparum SB1-A6 acridone-resistant clonal parasite strain and, through a combination of targeted and whole-cell methods, establish that the mechanism of resistance to both cytochrome bc1 and DHODH inhibitors results from the contribution of multiple genetic polymorphisms. We find that P. falciparum SB1-A6 accumulates both a copy number variation and a specific mutation in PfDHODH, and both of these genetic polymorphisms contribute to the panresistant phenotype. This study uncovers a mechanism of cross-resistance between PfDHODH and mtETC inhibitors and serves as a cautionary note to future antimalarial combination therapy formulations containing such drugs.","INSTITUTE":"U.S. Food & Drug Administration","LAST_NAME":"Painter","FIRST_NAME":"Heather","ADDRESS":"10903 New Hampshire Ave., WO 52/72-5324, Silver Spring, MD 20993","EMAIL":"Heather.Painter@fda.hhs.gov","PHONE":"240-402-2040"},

"STUDY":{"STUDY_TITLE":"Atypical Molecular Basis for Drug Resistance to Mitochondrial AQ: A Function Inhibitors in Plasmodium falciparum","STUDY_SUMMARY":"In this study, we present a clear genotype for the P. falciparum SB1-A6 acridone-resistant clonal parasite strain and, through a combination of targeted and whole-cell methods, establish that the mechanism of resistance to both cytochrome bc1 and DHODH inhibitors results from the contribution of multiple genetic polymorphisms. We find that P. falciparum SB1-A6 accumulates both a copy number variation and a specific mutation in PfDHODH, and both of these genetic polymorphisms contribute to the panresistant phenotype. This study uncovers a mechanism of cross-resistance between PfDHODH and mtETC inhibitors and serves as a cautionary note to future antimalarial combination therapy formulations containing such drugs.","INSTITUTE":"U.S. Food & Drug Administration","LAST_NAME":"Painter","FIRST_NAME":"Heather","ADDRESS":"10903 New Hampshire Ave., WO 52/72-5324, Silver Spring, MD 20993","EMAIL":"Heather.Painter@fda.hhs.gov","PHONE":"240-402-2040","PUBLICATIONS":"DOI:10.1128/AAC.02143-20"},

"SUBJECT":{"SUBJECT_TYPE":"Cultured cells","SUBJECT_SPECIES":"Plasmodium falciparum","TAXONOMY_ID":"5833"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"10_D6_CT1",
"Sample ID":"10_D6_CT1",
"Factors":{"Genotype":"Wild-type","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"10_D6_CT1.mzxml"}
},
{
"Subject ID":"18_D6_CT2",
"Sample ID":"18_D6_CT2",
"Factors":{"Genotype":"Wild-type","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"18_D6_CT2.mzxml"}
},
{
"Subject ID":"29_D6_CT3",
"Sample ID":"29_D6_CT3",
"Factors":{"Genotype":"Wild-type","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"29_D6_CT3.mzxml"}
},
{
"Subject ID":"12_D6_AT1",
"Sample ID":"12_D6_AT1",
"Factors":{"Genotype":"Wild-type","Treatment":"Atovaquone"},
"Additional sample data":{"RAW_FILE_NAME":"12_D6_AT1.mzxml"}
},
{
"Subject ID":"16_D6_AT2",
"Sample ID":"16_D6_AT2",
"Factors":{"Genotype":"Wild-type","Treatment":"Atovaquone"},
"Additional sample data":{"RAW_FILE_NAME":"16_D6_AT2.mzxml"}
},
{
"Subject ID":"25_D6_AT3",
"Sample ID":"25_D6_AT3",
"Factors":{"Genotype":"Wild-type","Treatment":"Atovaquone"},
"Additional sample data":{"RAW_FILE_NAME":"25_D6_AT3.mzxml"}
},
{
"Subject ID":"11_D6_DT1",
"Sample ID":"11_D6_DT1",
"Factors":{"Genotype":"Wild-type","Treatment":"DSM-1"},
"Additional sample data":{"RAW_FILE_NAME":"11_D6_DT1.mzxml"}
},
{
"Subject ID":"17_D6_DT2",
"Sample ID":"17_D6_DT2",
"Factors":{"Genotype":"Drug Resistant","Treatment":"DSM-1"},
"Additional sample data":{"RAW_FILE_NAME":"17_D6_DT2.mzxml"}
},
{
"Subject ID":"7_A6_CT1",
"Sample ID":"7_A6_CT1",
"Factors":{"Genotype":"Drug Resistant","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"7_A6_CT1.mzxml"}
},
{
"Subject ID":"21_A6_CT2",
"Sample ID":"21_A6_CT2",
"Factors":{"Genotype":"Drug Resistant","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"21_A6_CT2.mzxml"}
},
{
"Subject ID":"31_A6_CT3",
"Sample ID":"31_A6_CT3",
"Factors":{"Genotype":"Drug Resistant","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"31_A6_CT3.mzxml"}
},
{
"Subject ID":"9_A6_AT1",
"Sample ID":"9_A6_AT1",
"Factors":{"Genotype":"Drug Resistant","Treatment":"Atovaquone"},
"Additional sample data":{"RAW_FILE_NAME":"9_A6_AT1.mzxml"}
},
{
"Subject ID":"19_A6_AT2",
"Sample ID":"19_A6_AT2",
"Factors":{"Genotype":"Drug Resistant","Treatment":"Atovaquone"},
"Additional sample data":{"RAW_FILE_NAME":"19_A6_AT2.mzxml"}
},
{
"Subject ID":"28_A6_AT3",
"Sample ID":"28_A6_AT3",
"Factors":{"Genotype":"Drug Resistant","Treatment":"Atovaquone"},
"Additional sample data":{"RAW_FILE_NAME":"28_A6_AT3.mzxml"}
},
{
"Subject ID":"8_A6_DT1",
"Sample ID":"8_A6_DT1",
"Factors":{"Genotype":"Drug Resistant","Treatment":"DSM-1"},
"Additional sample data":{"RAW_FILE_NAME":"8_A6_DT1.mzxml"}
},
{
"Subject ID":"20_A6_DT2",
"Sample ID":"20_A6_DT2",
"Factors":{"Genotype":"Drug Resistant","Treatment":"DSM-1"},
"Additional sample data":{"RAW_FILE_NAME":"20_A6_DT2.mzxml"}
},
{
"Subject ID":"26_A6_DT3",
"Sample ID":"26_A6_DT3",
"Factors":{"Genotype":"Drug Resistant","Treatment":"DSM-1"},
"Additional sample data":{"RAW_FILE_NAME":"26_A6_DT3.mzxml"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Cells were pelleted and the media aspirated prior to methanol extraction","SAMPLE_TYPE":"Plasmodium cells"},

"TREATMENT":{"TREATMENT_SUMMARY":"Trophozoite-stage Plasmodium infected RBCs were treated with 10x IC50 of either drug for 2.5 hours"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"90% Methanol/10% water at 50:1 solvent/cell pellet followed by vortexing and clarification via centrifugation","PROCESSING_METHOD":"Lysis","PROCESSING_STORAGE_CONDITIONS":"4℃","EXTRACT_CLEANUP":"Clarification via centrifugation followed by nitrogen drying","EXTRACT_STORAGE":"-80℃","SAMPLE_RESUSPENSION":"6X pellet volume of HPLC H2O","SAMPLE_SPIKING":"Internal Standard 13C4, 15N1-Aspartate used for sample preparation normalizer"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Low pH polar","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Thermo Exactive Orbitrap Plus","COLUMN_NAME":"Phenomenex Synergi Hydro RP (100 x 2mm, 2.5um)"},

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

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"Proprietary analytical software for integration and peak picking"},

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

"Data":[{"Metabolite":"guanosine","8_A6_DT1":"23491.39","9_A6_AT1":"36535.75","10_D6_CT1":"13252.27","11_D6_DT1":"20738.21","12_D6_AT1":"24212.38","16_D6_AT2":"28929.9","17_D6_DT2":"37339.56","7_A6_CT1":"15769.59","19_A6_AT2":"28281.99","20_A6_DT2":"26704.11","21_A6_CT2":"17323.06","25_D6_AT3":"31144.74","26_A6_DT3":"22244.17","28_A6_AT3":"29377.78","29_D6_CT3":"12914.62","31_A6_CT3":"25773.99","18_D6_CT2":"14796.32"},{"Metabolite":"dCMP","8_A6_DT1":"73029.23","9_A6_AT1":"104001.3","10_D6_CT1":"42961.21","11_D6_DT1":"71134.24","12_D6_AT1":"101599.7","16_D6_AT2":"69906.87","17_D6_DT2":"116546.4","7_A6_CT1":"63552.24","19_A6_AT2":"96952.6","20_A6_DT2":"60679.34","21_A6_CT2":"66237.61","25_D6_AT3":"119144.3","26_A6_DT3":"84174.02","28_A6_AT3":"94060.24","29_D6_CT3":"43244.79","31_A6_CT3":"84952.91","18_D6_CT2":"53755"},{"Metabolite":"N-acetyl-glucosamine-1/6-phosphate","8_A6_DT1":"12851.59","9_A6_AT1":"123735.1","10_D6_CT1":"10528.24","11_D6_DT1":"12051.92","12_D6_AT1":"11623.75","16_D6_AT2":"11479.34","17_D6_DT2":"16590.08","7_A6_CT1":"9885.634","19_A6_AT2":"21235.51","20_A6_DT2":"12360.83","21_A6_CT2":"12632","25_D6_AT3":"15959.18","26_A6_DT3":"15484.93","28_A6_AT3":"14112.2","29_D6_CT3":"8968.976","31_A6_CT3":"11185.37","18_D6_CT2":"9912.374"},{"Metabolite":"7-methylguanosine","8_A6_DT1":"29998.17","9_A6_AT1":"24728.52","10_D6_CT1":"26196.97","11_D6_DT1":"24344.65","12_D6_AT1":"25422.59","16_D6_AT2":"27763.7","17_D6_DT2":"43918.54","7_A6_CT1":"25375.36","19_A6_AT2":"28681.22","20_A6_DT2":"31258.31","21_A6_CT2":"30770.01","25_D6_AT3":"34110.96","26_A6_DT3":"28501.35","28_A6_AT3":"32067.59","29_D6_CT3":"23250.74","31_A6_CT3":"26957.15","18_D6_CT2":"31897.61"},{"Metabolite":"S-methyl-5'-thioadenosine","8_A6_DT1":"29719.91","9_A6_AT1":"21559.47","10_D6_CT1":"31480.76","11_D6_DT1":"31949.92","12_D6_AT1":"18455.3","16_D6_AT2":"20946.42","17_D6_DT2":"40753.55","7_A6_CT1":"27148.42","19_A6_AT2":"22796.93","20_A6_DT2":"34379.62","21_A6_CT2":"30707.1","25_D6_AT3":"32066.4","26_A6_DT3":"26360.03","28_A6_AT3":"24772.1","29_D6_CT3":"27463.94","31_A6_CT3":"30587.6","18_D6_CT2":"32059.15"},{"Metabolite":"D-sedoheptulose-1/7-phosphate","8_A6_DT1":"29469.71","9_A6_AT1":"53453.03","10_D6_CT1":"13995.12","11_D6_DT1":"17366.69","12_D6_AT1":"49963.41","16_D6_AT2":"59332.98","17_D6_DT2":"34397.56","7_A6_CT1":"16137.37","19_A6_AT2":"50013.96","20_A6_DT2":"24931.24","21_A6_CT2":"25034.22","25_D6_AT3":"71935.73","26_A6_DT3":"16652.18","28_A6_AT3":"54399.89","29_D6_CT3":"8179.094","31_A6_CT3":"17387.97","18_D6_CT2":"14585.2"},{"Metabolite":"glutathione","8_A6_DT1":"4139122","9_A6_AT1":"3378104","10_D6_CT1":"5191392","11_D6_DT1":"4856440","12_D6_AT1":"4412926","16_D6_AT2":"3337105","17_D6_DT2":"6616798","7_A6_CT1":"3476081","19_A6_AT2":"5208263","20_A6_DT2":"5684200","21_A6_CT2":"2733085","25_D6_AT3":"6159718","26_A6_DT3":"6586544","28_A6_AT3":"4504093","29_D6_CT3":"4760092","31_A6_CT3":"4276558","18_D6_CT2":"5592332"},{"Metabolite":"6-phospho-D-gluconate","8_A6_DT1":"1088808.051","9_A6_AT1":"1582309.84","10_D6_CT1":"1026440.567","11_D6_DT1":"1122583.58","12_D6_AT1":"1480351.03","16_D6_AT2":"1494124.024","17_D6_DT2":"1400644.517","7_A6_CT1":"1093341.276","19_A6_AT2":"1804753.79","20_A6_DT2":"1067751.659","21_A6_CT2":"1109614.8","25_D6_AT3":"1832924.221","26_A6_DT3":"1183457.327","28_A6_AT3":"1639988.45","29_D6_CT3":"948919.174","31_A6_CT3":"1159121.274","18_D6_CT2":"1111201.255"},{"Metabolite":"inosine","8_A6_DT1":"30150.25","9_A6_AT1":"38875.44","10_D6_CT1":"19928.69","11_D6_DT1":"32692.26","12_D6_AT1":"35483.89","16_D6_AT2":"36986.26","17_D6_DT2":"49473.04","7_A6_CT1":"26359.55","19_A6_AT2":"34254.37","20_A6_DT2":"41969.57","21_A6_CT2":"30186.77","25_D6_AT3":"50328.28","26_A6_DT3":"24961.58","28_A6_AT3":"45447.01","29_D6_CT3":"19393.79","31_A6_CT3":"46405.54","18_D6_CT2":"24099.22"},{"Metabolite":"1_3-diphopshateglycerate","8_A6_DT1":"290746.6","9_A6_AT1":"166285.6","10_D6_CT1":"922587.6","11_D6_DT1":"6103.357","12_D6_AT1":"258752.8","16_D6_AT2":"1294433","17_D6_DT2":"241763","7_A6_CT1":"2103498","19_A6_AT2":"100931.5","20_A6_DT2":"1702384","21_A6_CT2":"5989.189","25_D6_AT3":"1311254","26_A6_DT3":"64475.76","28_A6_AT3":"210077.8","29_D6_CT3":"460682.6","31_A6_CT3":"6960.776","18_D6_CT2":"40040.02"},{"Metabolite":"2_3-Diphosphoglyceric acid","8_A6_DT1":"289575.8","9_A6_AT1":"165768","10_D6_CT1":"921893.3","11_D6_DT1":"6103.357","12_D6_AT1":"258752.8","16_D6_AT2":"1293107","17_D6_DT2":"240794.6","7_A6_CT1":"2100134","19_A6_AT2":"27248.04","20_A6_DT2":"1700185","21_A6_CT2":"5989.189","25_D6_AT3":"1308925","26_A6_DT3":"63605.38","28_A6_AT3":"210077.8","29_D6_CT3":"460104.5","31_A6_CT3":"6960.776","18_D6_CT2":"39528.25"},{"Metabolite":"dTMP","8_A6_DT1":"785637.1","9_A6_AT1":"1029503","10_D6_CT1":"406266.8","11_D6_DT1":"701300.3","12_D6_AT1":"1098640","16_D6_AT2":"1058235","17_D6_DT2":"1160690","7_A6_CT1":"633149.3","19_A6_AT2":"944689.1","20_A6_DT2":"721791","21_A6_CT2":"632783.8","25_D6_AT3":"1351319","26_A6_DT3":"722963.9","28_A6_AT3":"1008619","29_D6_CT3":"303512.7","31_A6_CT3":"722643.2","18_D6_CT2":"493927.8"},{"Metabolite":"CMP","8_A6_DT1":"813004.2","9_A6_AT1":"961376.9","10_D6_CT1":"571234.9","11_D6_DT1":"762075.1","12_D6_AT1":"859903.6","16_D6_AT2":"770823.5","17_D6_DT2":"1028706","7_A6_CT1":"727063.9","19_A6_AT2":"964942.3","20_A6_DT2":"749073.3","21_A6_CT2":"767709.2","25_D6_AT3":"990111.7","26_A6_DT3":"885137","28_A6_AT3":"882002.8","29_D6_CT3":"568981.8","31_A6_CT3":"835826.8","18_D6_CT2":"651915.4"},{"Metabolite":"UMP","8_A6_DT1":"2877373","9_A6_AT1":"3371489","10_D6_CT1":"2156647","11_D6_DT1":"3048125","12_D6_AT1":"3198268","16_D6_AT2":"2822838","17_D6_DT2":"3694547","7_A6_CT1":"2727259","19_A6_AT2":"3220307","20_A6_DT2":"2735383","21_A6_CT2":"2824881","25_D6_AT3":"3609555","26_A6_DT3":"3058620","28_A6_AT3":"3284131","29_D6_CT3":"2235890","31_A6_CT3":"3167137","18_D6_CT2":"2461462"},{"Metabolite":"cyclic-AMP","8_A6_DT1":"62071.3","9_A6_AT1":"44922.56","10_D6_CT1":"51044.32","11_D6_DT1":"55503.65","12_D6_AT1":"41391.42","16_D6_AT2":"45803.07","17_D6_DT2":"70922.87","7_A6_CT1":"54734.59","19_A6_AT2":"58152.44","20_A6_DT2":"57149.75","21_A6_CT2":"58276.51","25_D6_AT3":"47682.81","26_A6_DT3":"53492.29","28_A6_AT3":"54284.15","29_D6_CT3":"49387.63","31_A6_CT3":"60617.83","18_D6_CT2":"55581.16"},{"Metabolite":"dAMP","8_A6_DT1":"236822.28","9_A6_AT1":"334252.603","10_D6_CT1":"133476.765","11_D6_DT1":"219132.29","12_D6_AT1":"356096.624","16_D6_AT2":"309703.505","17_D6_DT2":"358298.04","7_A6_CT1":"184515.962","19_A6_AT2":"282770.762","20_A6_DT2":"225022.509","21_A6_CT2":"177847.336","25_D6_AT3":"420070.229","26_A6_DT3":"216646.005","28_A6_AT3":"276106.162","29_D6_CT3":"92110.873","31_A6_CT3":"218963.072","18_D6_CT2":"148683.468"},{"Metabolite":"aminoimidazole carboxamide ribonucleotide","8_A6_DT1":"1212.744","9_A6_AT1":"2458.755","10_D6_CT1":"226.521","11_D6_DT1":"1164.257","12_D6_AT1":"750.6739","16_D6_AT2":"1197.057","17_D6_DT2":"1629.584","7_A6_CT1":"1122.7","19_A6_AT2":"6051.928","20_A6_DT2":"801.6559","21_A6_CT2":"1583.884","25_D6_AT3":"727.4086","26_A6_DT3":"1504.609","28_A6_AT3":"1683.003","29_D6_CT3":"366.3175","31_A6_CT3":"1179.016","18_D6_CT2":"664.9979"},{"Metabolite":"fructose-1-6-bisphosphate","8_A6_DT1":"288181.32","9_A6_AT1":"501154.28","10_D6_CT1":"226114.01","11_D6_DT1":"320393.35","12_D6_AT1":"336100.99","16_D6_AT2":"288148.14","17_D6_DT2":"253890.24","7_A6_CT1":"296090.95","19_A6_AT2":"977807","20_A6_DT2":"221078.09","21_A6_CT2":"435096.87","25_D6_AT3":"209304.98","26_A6_DT3":"222983.33","28_A6_AT3":"345737.47","29_D6_CT3":"338492.5","31_A6_CT3":"321536.7","18_D6_CT2":"248359.81"},{"Metabolite":"dGMP","8_A6_DT1":"5221378","9_A6_AT1":"5158214","10_D6_CT1":"4417368","11_D6_DT1":"5099991","12_D6_AT1":"5028930","16_D6_AT2":"5113092","17_D6_DT2":"6283122","7_A6_CT1":"4753390","19_A6_AT2":"5301880","20_A6_DT2":"4993431","21_A6_CT2":"4519026","25_D6_AT3":"5982560","26_A6_DT3":"4980336","28_A6_AT3":"5422864","29_D6_CT3":"3652901","31_A6_CT3":"5066288","18_D6_CT2":"4405048"},{"Metabolite":"D-erythrose-4-phosphate","8_A6_DT1":"6550.531","9_A6_AT1":"8470.152","10_D6_CT1":"4591.4798","11_D6_DT1":"6816.279","12_D6_AT1":"8811.861","16_D6_AT2":"7857.043","17_D6_DT2":"7962.992","7_A6_CT1":"6796.827","19_A6_AT2":"15731.892","20_A6_DT2":"6242.172","21_A6_CT2":"9249.852","25_D6_AT3":"9499.99","26_A6_DT3":"7400.22","28_A6_AT3":"9277.583","29_D6_CT3":"9145.364","31_A6_CT3":"6519.901","18_D6_CT2":"5581.719"},{"Metabolite":"NG-dimethyl-L-arginine","8_A6_DT1":"7492.919","9_A6_AT1":"6128.083","10_D6_CT1":"6954.446","11_D6_DT1":"5640.798","12_D6_AT1":"7593.692","16_D6_AT2":"7638.871","17_D6_DT2":"7619.42","7_A6_CT1":"7645.794","19_A6_AT2":"6953.402","20_A6_DT2":"6395.485","21_A6_CT2":"7892.189","25_D6_AT3":"9147.219","26_A6_DT3":"7741.954","28_A6_AT3":"11078.76","29_D6_CT3":"4891.588","31_A6_CT3":"9064.587","18_D6_CT2":"7313.4"},{"Metabolite":"tryptophan","8_A6_DT1":"29057.21","9_A6_AT1":"58044.88","10_D6_CT1":"21371.01","11_D6_DT1":"34646.99","12_D6_AT1":"48580.47","16_D6_AT2":"34849.99","17_D6_DT2":"25333.36","7_A6_CT1":"30536.51","19_A6_AT2":"127474.8","20_A6_DT2":"19909.18","21_A6_CT2":"55224.14","25_D6_AT3":"25109.58","26_A6_DT3":"24492.21","28_A6_AT3":"36248.44","29_D6_CT3":"41420.79","31_A6_CT3":"37006.64","18_D6_CT2":"23596.77"},{"Metabolite":"pantothenate","8_A6_DT1":"19444.34","9_A6_AT1":"54314.65","10_D6_CT1":"11510.96","11_D6_DT1":"19622.22","12_D6_AT1":"27951.25","16_D6_AT2":"22223.66","17_D6_DT2":"16777.28","7_A6_CT1":"18270.87","19_A6_AT2":"129940","20_A6_DT2":"9361.231","21_A6_CT2":"31289.19","25_D6_AT3":"17309.57","26_A6_DT3":"12869.81","28_A6_AT3":"29195.52","29_D6_CT3":"11986","31_A6_CT3":"17246.26","18_D6_CT2":"11842.97"},{"Metabolite":"AMP","8_A6_DT1":"5221378","9_A6_AT1":"5158214","10_D6_CT1":"4417368","11_D6_DT1":"5099991","12_D6_AT1":"5028930","16_D6_AT2":"5113092","17_D6_DT2":"6283122","7_A6_CT1":"4753390","19_A6_AT2":"5301880","20_A6_DT2":"4993431","21_A6_CT2":"4519026","25_D6_AT3":"5982560","26_A6_DT3":"4980336","28_A6_AT3":"5422864","29_D6_CT3":"3652901","31_A6_CT3":"5066288","18_D6_CT2":"4405048"},{"Metabolite":"thymidine","8_A6_DT1":"3101.935","9_A6_AT1":"6623.547","10_D6_CT1":"2032.119","11_D6_DT1":"3402.785","12_D6_AT1":"7576.864","16_D6_AT2":"6980.651","17_D6_DT2":"7416.224","7_A6_CT1":"1387.687","19_A6_AT2":"5472.909","20_A6_DT2":"3773.874","21_A6_CT2":"3457.93","25_D6_AT3":"8542.21","26_A6_DT3":"4685.497","28_A6_AT3":"5945.143","29_D6_CT3":"1748.894","31_A6_CT3":"3048.601","18_D6_CT2":"2505.991"},{"Metabolite":"glucose-6-phosphate","8_A6_DT1":"1867740","9_A6_AT1":"1685409","10_D6_CT1":"1834437","11_D6_DT1":"1885878","12_D6_AT1":"1707141","16_D6_AT2":"1979756","17_D6_DT2":"2203738","7_A6_CT1":"1785624","19_A6_AT2":"1813998","20_A6_DT2":"1829814","21_A6_CT2":"1815990","25_D6_AT3":"2257618","26_A6_DT3":"1937291","28_A6_AT3":"1935254","29_D6_CT3":"1800785","31_A6_CT3":"1916929","18_D6_CT2":"1723025"},{"Metabolite":"glucose-1-phosphate","8_A6_DT1":"1867740","9_A6_AT1":"1685409","10_D6_CT1":"1834437","11_D6_DT1":"1885878","12_D6_AT1":"1707141","16_D6_AT2":"1979756","17_D6_DT2":"2203738","7_A6_CT1":"1785624","19_A6_AT2":"1813998","20_A6_DT2":"1829814","21_A6_CT2":"1815990","25_D6_AT3":"2257618","26_A6_DT3":"1937291","28_A6_AT3":"1935254","29_D6_CT3":"1800785","31_A6_CT3":"1916929","18_D6_CT2":"1723025"},{"Metabolite":"dTTP","8_A6_DT1":"13150.64","9_A6_AT1":"19645.8","10_D6_CT1":"16680.36","11_D6_DT1":"11885.75","12_D6_AT1":"16497.18","16_D6_AT2":"24901.83","17_D6_DT2":"12313.23","7_A6_CT1":"14167.87","19_A6_AT2":"26309.78","20_A6_DT2":"33791.11","21_A6_CT2":"8664.253","25_D6_AT3":"23073.41","26_A6_DT3":"12938.53","28_A6_AT3":"18374.09","29_D6_CT3":"18428.4","31_A6_CT3":"3195.736","18_D6_CT2":"18812.04"},{"Metabolite":"CTP","8_A6_DT1":"53833.12","9_A6_AT1":"47071.4","10_D6_CT1":"20867.84","11_D6_DT1":"8499.569","12_D6_AT1":"46512.43","16_D6_AT2":"121765.3","17_D6_DT2":"29472.48","7_A6_CT1":"19098.77","19_A6_AT2":"75987.16","20_A6_DT2":"28704.05","21_A6_CT2":"8605.31","25_D6_AT3":"107357.4","26_A6_DT3":"37456.5","28_A6_AT3":"79677.72","29_D6_CT3":"50839.61","31_A6_CT3":"8497.846","18_D6_CT2":"37973.94"},{"Metabolite":"UTP","8_A6_DT1":"116729.9","9_A6_AT1":"152095.1","10_D6_CT1":"104237.1","11_D6_DT1":"68849.9","12_D6_AT1":"125053.2","16_D6_AT2":"321888.4","17_D6_DT2":"98678.54","7_A6_CT1":"147360.5","19_A6_AT2":"221228.6","20_A6_DT2":"199362.1","21_A6_CT2":"61494.63","25_D6_AT3":"410905.9","26_A6_DT3":"100180.8","28_A6_AT3":"208925.9","29_D6_CT3":"150564.5","31_A6_CT3":"41107.14","18_D6_CT2":"131245.4"},{"Metabolite":"CDP-choline","8_A6_DT1":"52160.48","9_A6_AT1":"49629.9","10_D6_CT1":"35092.64","11_D6_DT1":"42529.62","12_D6_AT1":"45647.47","16_D6_AT2":"46902.72","17_D6_DT2":"59906.32","7_A6_CT1":"48561.19","19_A6_AT2":"55588.72","20_A6_DT2":"52007.56","21_A6_CT2":"47970.9","25_D6_AT3":"60848.07","26_A6_DT3":"50935.71","28_A6_AT3":"51731.59","29_D6_CT3":"29469.33","31_A6_CT3":"52124.18","18_D6_CT2":"39335.88"},{"Metabolite":"dATP","8_A6_DT1":"6281.455","9_A6_AT1":"7362.348","10_D6_CT1":"7770.387","11_D6_DT1":"4876.229","12_D6_AT1":"2310.072","16_D6_AT2":"5294.955","17_D6_DT2":"5001.086","7_A6_CT1":"3046.305","19_A6_AT2":"6678.939","20_A6_DT2":"7723.746","21_A6_CT2":"4790.115","25_D6_AT3":"6605.167","26_A6_DT3":"5747.362","28_A6_AT3":"6679.621","29_D6_CT3":"4997.899","31_A6_CT3":"4180.21","18_D6_CT2":"4009.355"},{"Metabolite":"Taurodeoxycholic acid","8_A6_DT1":"10789.99","9_A6_AT1":"8707.11","10_D6_CT1":"9016.194","11_D6_DT1":"7553.381","12_D6_AT1":"10500.32","16_D6_AT2":"6942.151","17_D6_DT2":"13573.34","7_A6_CT1":"8187.978","19_A6_AT2":"6943.639","20_A6_DT2":"9486.464","21_A6_CT2":"10553.68","25_D6_AT3":"11707.07","26_A6_DT3":"10548.85","28_A6_AT3":"10422.4","29_D6_CT3":"6282.973","31_A6_CT3":"8172.837","18_D6_CT2":"10824.22"},{"Metabolite":"ATP","8_A6_DT1":"1791762","9_A6_AT1":"890639","10_D6_CT1":"812195.2","11_D6_DT1":"482301.6","12_D6_AT1":"240754.3","16_D6_AT2":"1393700","17_D6_DT2":"1268069","7_A6_CT1":"2012398","19_A6_AT2":"427304.2","20_A6_DT2":"1831177","21_A6_CT2":"435186.2","25_D6_AT3":"2554800","26_A6_DT3":"1361944","28_A6_AT3":"573190.6","29_D6_CT3":"700858","31_A6_CT3":"714731.9","18_D6_CT2":"569907.2"},{"Metabolite":"GTP","8_A6_DT1":"44117.29","9_A6_AT1":"51720.06","10_D6_CT1":"46294.88","11_D6_DT1":"20966.96","12_D6_AT1":"19769.6","16_D6_AT2":"62558.02","17_D6_DT2":"61543.07","7_A6_CT1":"42960.25","19_A6_AT2":"39492.34","20_A6_DT2":"27926.69","21_A6_CT2":"32444.52","25_D6_AT3":"70734.76","26_A6_DT3":"79710.62","28_A6_AT3":"45511.42","29_D6_CT3":"38889.87","31_A6_CT3":"44879.03","18_D6_CT2":"62109.66"},{"Metabolite":"UDP-D-glucose","8_A6_DT1":"1709794","9_A6_AT1":"1785312","10_D6_CT1":"1397260","11_D6_DT1":"1594498","12_D6_AT1":"1473159","16_D6_AT2":"1540059","17_D6_DT2":"1998061","7_A6_CT1":"1594294","19_A6_AT2":"2154085","20_A6_DT2":"1621660","21_A6_CT2":"1637688","25_D6_AT3":"1809315","26_A6_DT3":"1628603","28_A6_AT3":"1829914","29_D6_CT3":"1325942","31_A6_CT3":"1630464","18_D6_CT2":"1494602"},{"Metabolite":"UDP-D-glucuronate","8_A6_DT1":"70629.1","9_A6_AT1":"81199.38","10_D6_CT1":"53444.47","11_D6_DT1":"52983.48","12_D6_AT1":"59738.78","16_D6_AT2":"83626.34","17_D6_DT2":"80028.23","7_A6_CT1":"78226.54","19_A6_AT2":"131780.7","20_A6_DT2":"81612.95","21_A6_CT2":"58140.6","25_D6_AT3":"102686.5","26_A6_DT3":"51841.15","28_A6_AT3":"65283.44","29_D6_CT3":"49068.06","31_A6_CT3":"53042.48","18_D6_CT2":"43585.03"},{"Metabolite":"ADP-D-glucose","8_A6_DT1":"47543.57","9_A6_AT1":"75209.93","10_D6_CT1":"30109.69","11_D6_DT1":"43006.71","12_D6_AT1":"49420.39","16_D6_AT2":"47727.17","17_D6_DT2":"46467.71","7_A6_CT1":"38611.3","19_A6_AT2":"139796.5","20_A6_DT2":"35520.47","21_A6_CT2":"52190.82","25_D6_AT3":"44236.81","26_A6_DT3":"32562.83","28_A6_AT3":"58113.31","29_D6_CT3":"33868.86","31_A6_CT3":"41384.12","18_D6_CT2":"31518.38"},{"Metabolite":"UDP-N-acetyl-glucosamine","8_A6_DT1":"2547166","9_A6_AT1":"2573947","10_D6_CT1":"2206598","11_D6_DT1":"2549251","12_D6_AT1":"2198732","16_D6_AT2":"2472965","17_D6_DT2":"3207541","7_A6_CT1":"2431092","19_A6_AT2":"2851736","20_A6_DT2":"2574812","21_A6_CT2":"2505282","25_D6_AT3":"2974703","26_A6_DT3":"2662892","28_A6_AT3":"2886125","29_D6_CT3":"2103151","31_A6_CT3":"2558650","18_D6_CT2":"2389105"},{"Metabolite":"glutathione disulfide","8_A6_DT1":"7429824","9_A6_AT1":"7665614","10_D6_CT1":"5212696","11_D6_DT1":"6882194","12_D6_AT1":"6667590","16_D6_AT2":"6895724","17_D6_DT2":"6788246","7_A6_CT1":"7024032","19_A6_AT2":"8616096","20_A6_DT2":"5897808","21_A6_CT2":"7630534","25_D6_AT3":"6950668","26_A6_DT3":"5732788","28_A6_AT3":"7453322","29_D6_CT3":"5604844","31_A6_CT3":"7359976","18_D6_CT2":"5112783"},{"Metabolite":"NADH","8_A6_DT1":"1599.887","9_A6_AT1":"1654.724","10_D6_CT1":"13151.04","11_D6_DT1":"2794.493","12_D6_AT1":"2308.918","16_D6_AT2":"1212.783","17_D6_DT2":"13838.63","7_A6_CT1":"838.6401","19_A6_AT2":"4296.135","20_A6_DT2":"12030.56","21_A6_CT2":"763.6149","25_D6_AT3":"7995","26_A6_DT3":"26587.84","28_A6_AT3":"1540.357","29_D6_CT3":"3869.646","31_A6_CT3":"1272.112","18_D6_CT2":"21055.41"},{"Metabolite":"NADP+","8_A6_DT1":"348657.2","9_A6_AT1":"345737.4","10_D6_CT1":"250254.5","11_D6_DT1":"330197.2","12_D6_AT1":"310579.8","16_D6_AT2":"326354.4","17_D6_DT2":"418116.9","7_A6_CT1":"307338.6","19_A6_AT2":"381088.3","20_A6_DT2":"321446.1","21_A6_CT2":"340980.4","25_D6_AT3":"357141.5","26_A6_DT3":"248507.8","28_A6_AT3":"317420.8","29_D6_CT3":"276939.1","31_A6_CT3":"322960.3","18_D6_CT2":"284189"},{"Metabolite":"NADPH","8_A6_DT1":"3138.851","9_A6_AT1":"1403.144","10_D6_CT1":"12909.52","11_D6_DT1":"4298.172","12_D6_AT1":"2355.393","16_D6_AT2":"4127.281","17_D6_DT2":"12120.96","7_A6_CT1":"1951.167","19_A6_AT2":"1136.761","20_A6_DT2":"12594.58","21_A6_CT2":"1171.482","25_D6_AT3":"18749.94","26_A6_DT3":"40525.05","28_A6_AT3":"3056.501","29_D6_CT3":"12041.28","31_A6_CT3":"5765.523","18_D6_CT2":"17184.72"},{"Metabolite":"coenzyme A","8_A6_DT1":"3347.414","9_A6_AT1":"2353.92","10_D6_CT1":"4780.933","11_D6_DT1":"4277.594","12_D6_AT1":"4553.836","16_D6_AT2":"2525.08","17_D6_DT2":"9121.794","7_A6_CT1":"1972.802","19_A6_AT2":"6390.637","20_A6_DT2":"9620.788","21_A6_CT2":"3308.227","25_D6_AT3":"8137.049","26_A6_DT3":"9185.495","28_A6_AT3":"5437.46","29_D6_CT3":"5434.268","31_A6_CT3":"3413.847","18_D6_CT2":"8956.352"},{"Metabolite":"FAD","8_A6_DT1":"150797.1","9_A6_AT1":"151211.2","10_D6_CT1":"106847.9","11_D6_DT1":"171419.6","12_D6_AT1":"122971.5","16_D6_AT2":"111272.1","17_D6_DT2":"219372","7_A6_CT1":"102270.7","19_A6_AT2":"134818.5","20_A6_DT2":"132911.8","21_A6_CT2":"170534.6","25_D6_AT3":"136304.2","26_A6_DT3":"162638.3","28_A6_AT3":"151742","29_D6_CT3":"116836.4","31_A6_CT3":"167159.1","18_D6_CT2":"174956"},{"Metabolite":"acetyl-CoA","8_A6_DT1":"5019.726","9_A6_AT1":"3432.652","10_D6_CT1":"5323.453","11_D6_DT1":"7888.635","12_D6_AT1":"2543.703","16_D6_AT2":"3332.806","17_D6_DT2":"4799.299","7_A6_CT1":"5005.633","19_A6_AT2":"9966.873","20_A6_DT2":"6053.379","21_A6_CT2":"8251.569","25_D6_AT3":"3316.802","26_A6_DT3":"5619.801","28_A6_AT3":"4375.07","29_D6_CT3":"13837.13","31_A6_CT3":"4924.275","18_D6_CT2":"7153.419"},{"Metabolite":"UDP","8_A6_DT1":"1861213","9_A6_AT1":"1044925","10_D6_CT1":"1654710","11_D6_DT1":"1996734","12_D6_AT1":"1049703","16_D6_AT2":"1367858","17_D6_DT2":"2212566","7_A6_CT1":"1732807","19_A6_AT2":"1429002","20_A6_DT2":"1937871","21_A6_CT2":"1860775","25_D6_AT3":"1698245","26_A6_DT3":"1950563","28_A6_AT3":"1559306","29_D6_CT3":"1692626","31_A6_CT3":"1922947","18_D6_CT2":"1697379"},{"Metabolite":"IMP","8_A6_DT1":"535946.2","9_A6_AT1":"1080314","10_D6_CT1":"272930.1","11_D6_DT1":"516113.5","12_D6_AT1":"1010777","16_D6_AT2":"777783.2","17_D6_DT2":"577929.2","7_A6_CT1":"424130.5","19_A6_AT2":"1802565","20_A6_DT2":"353277.7","21_A6_CT2":"526672.2","25_D6_AT3":"1002582","26_A6_DT3":"346018","28_A6_AT3":"691183.6","29_D6_CT3":"210808.5","31_A6_CT3":"450447.3","18_D6_CT2":"243930.9"},{"Metabolite":"GMP","8_A6_DT1":"2062837","9_A6_AT1":"1590076","10_D6_CT1":"1970777","11_D6_DT1":"2168259","12_D6_AT1":"1625935","16_D6_AT2":"1805807","17_D6_DT2":"2700235","7_A6_CT1":"1928668","19_A6_AT2":"1520557","20_A6_DT2":"2094453","21_A6_CT2":"1880006","25_D6_AT3":"2113082","26_A6_DT3":"1985683","28_A6_AT3":"1942694","29_D6_CT3":"1964303","31_A6_CT3":"2010358","18_D6_CT2":"2013188"},{"Metabolite":"xanthosine-5-phosphate","8_A6_DT1":"1981.383","9_A6_AT1":"3059.195","10_D6_CT1":"2236.756","11_D6_DT1":"2656.822","12_D6_AT1":"5251.479","16_D6_AT2":"3237.26","17_D6_DT2":"2705.877","7_A6_CT1":"1394.939","19_A6_AT2":"1906.945","20_A6_DT2":"2301.649","21_A6_CT2":"1616.905","25_D6_AT3":"4523.832","26_A6_DT3":"2578.433","28_A6_AT3":"2906.166","29_D6_CT3":"1851.521","31_A6_CT3":"1565.718","18_D6_CT2":"2151.573"},{"Metabolite":"Sedoheptoluse bisphosphate","8_A6_DT1":"49532.16","9_A6_AT1":"39341.52","10_D6_CT1":"41662.38","11_D6_DT1":"45045.29","12_D6_AT1":"35633.44","16_D6_AT2":"43953.85","17_D6_DT2":"52195.92","7_A6_CT1":"46886.82","19_A6_AT2":"38872.81","20_A6_DT2":"44721.19","21_A6_CT2":"43986.37","25_D6_AT3":"54510.09","26_A6_DT3":"41693.95","28_A6_AT3":"41261.82","29_D6_CT3":"47862.06","31_A6_CT3":"42660.49","18_D6_CT2":"44842.79"},{"Metabolite":"S-adenosyl-L-homoCysteine","8_A6_DT1":"346098.62","9_A6_AT1":"220918.31","10_D6_CT1":"285940.77","11_D6_DT1":"294111.21","12_D6_AT1":"237825.62","16_D6_AT2":"318385.83","17_D6_DT2":"452223.5","7_A6_CT1":"284257.36","19_A6_AT2":"257437.56","20_A6_DT2":"381531.05","21_A6_CT2":"317699.18","25_D6_AT3":"368984","26_A6_DT3":"358430.65","28_A6_AT3":"315743.88","29_D6_CT3":"227659.95","31_A6_CT3":"275025.58","18_D6_CT2":"301631.84"},{"Metabolite":"dCDP","8_A6_DT1":"275364.5","9_A6_AT1":"352613.6","10_D6_CT1":"181226.6","11_D6_DT1":"248842.7","12_D6_AT1":"352526.8","16_D6_AT2":"369367.9","17_D6_DT2":"396908.2","7_A6_CT1":"237795.6","19_A6_AT2":"263203.7","20_A6_DT2":"280377.2","21_A6_CT2":"231407.8","25_D6_AT3":"503623.3","26_A6_DT3":"266454","28_A6_AT3":"348617.1","29_D6_CT3":"176948.1","31_A6_CT3":"296949.5","18_D6_CT2":"205116.9"},{"Metabolite":"5-phosphoribosyl-1-pyrophosphate","8_A6_DT1":"3031.958","9_A6_AT1":"3381.33","10_D6_CT1":"3544.414","11_D6_DT1":"2669.581","12_D6_AT1":"3609.267","16_D6_AT2":"3700.835","17_D6_DT2":"2035.363","7_A6_CT1":"2562.436","19_A6_AT2":"4343.659","20_A6_DT2":"8754.762","21_A6_CT2":"2348.209","25_D6_AT3":"6147.215","26_A6_DT3":"2336.166","28_A6_AT3":"3494.143","29_D6_CT3":"4627.432","31_A6_CT3":"941.1808","18_D6_CT2":"2540.506"},{"Metabolite":"Octoluse Bisphosphate","8_A6_DT1":"21853.51","9_A6_AT1":"16820.65","10_D6_CT1":"22418.01","11_D6_DT1":"23480.88","12_D6_AT1":"17049.5","16_D6_AT2":"20418.13","17_D6_DT2":"25322.59","7_A6_CT1":"24838.46","19_A6_AT2":"18778.29","20_A6_DT2":"27200.43","21_A6_CT2":"24604.99","25_D6_AT3":"24084.64","26_A6_DT3":"21270.69","28_A6_AT3":"21488.21","29_D6_CT3":"26105.87","31_A6_CT3":"26755.77","18_D6_CT2":"20585.09"},{"Metabolite":"dTDP","8_A6_DT1":"361782.3","9_A6_AT1":"256014.2","10_D6_CT1":"276076.7","11_D6_DT1":"390125.9","12_D6_AT1":"230794.2","16_D6_AT2":"289597.8","17_D6_DT2":"471043.4","7_A6_CT1":"311464.8","19_A6_AT2":"329128.3","20_A6_DT2":"342238.9","21_A6_CT2":"328067","25_D6_AT3":"387514.8","26_A6_DT3":"354345.3","28_A6_AT3":"329585.6","29_D6_CT3":"290778.8","31_A6_CT3":"359974","18_D6_CT2":"316628"},{"Metabolite":"CDP","8_A6_DT1":"428348.2","9_A6_AT1":"254917.1","10_D6_CT1":"439842","11_D6_DT1":"449370.5","12_D6_AT1":"221115.9","16_D6_AT2":"298801.6","17_D6_DT2":"482825.8","7_A6_CT1":"434022.5","19_A6_AT2":"333991.6","20_A6_DT2":"522048.8","21_A6_CT2":"495694.1","25_D6_AT3":"378281.5","26_A6_DT3":"567157.4","28_A6_AT3":"388761.6","29_D6_CT3":"517584.1","31_A6_CT3":"506320.5","18_D6_CT2":"458313.8"},{"Metabolite":"D-gluconate","8_A6_DT1":"437580","9_A6_AT1":"463890.9","10_D6_CT1":"361512.1","11_D6_DT1":"448290.7","12_D6_AT1":"420454.25","16_D6_AT2":"398808.1","17_D6_DT2":"650498.2","7_A6_CT1":"373897.51","19_A6_AT2":"598921.2","20_A6_DT2":"471438.6","21_A6_CT2":"428014.3","25_D6_AT3":"624993","26_A6_DT3":"506120.4","28_A6_AT3":"523375.5","29_D6_CT3":"365958.57","31_A6_CT3":"485774.9","18_D6_CT2":"418918.4"},{"Metabolite":"Cholic acid","8_A6_DT1":"29468.586","9_A6_AT1":"25940.407","10_D6_CT1":"25859.301","11_D6_DT1":"25438.535","12_D6_AT1":"24748.67","16_D6_AT2":"22644.868","17_D6_DT2":"25808.99","7_A6_CT1":"23920.867","19_A6_AT2":"26646.135","20_A6_DT2":"27756.371","21_A6_CT2":"28459.119","25_D6_AT3":"29112.277","26_A6_DT3":"27835.577","28_A6_AT3":"26961.45","29_D6_CT3":"28039.411","31_A6_CT3":"29240.648","18_D6_CT2":"24512.459"},{"Metabolite":"adenosine 5'-phosphosulfate","8_A6_DT1":"5300.961","9_A6_AT1":"4367.645","10_D6_CT1":"5659.154","11_D6_DT1":"5827.33","12_D6_AT1":"1138.967","16_D6_AT2":"2831.234","17_D6_DT2":"7324.179","7_A6_CT1":"5770.41","19_A6_AT2":"8793.177","20_A6_DT2":"6149.241","21_A6_CT2":"6301.195","25_D6_AT3":"7749.458","26_A6_DT3":"5935.562","28_A6_AT3":"4152.518","29_D6_CT3":"3749.135","31_A6_CT3":"5336.797","18_D6_CT2":"5222.521"},{"Metabolite":"ADP","8_A6_DT1":"4511214","9_A6_AT1":"3356306","10_D6_CT1":"4460440","11_D6_DT1":"4779516","12_D6_AT1":"3021386","16_D6_AT2":"3367797","17_D6_DT2":"4799800","7_A6_CT1":"4344964","19_A6_AT2":"4443552","20_A6_DT2":"4368132","21_A6_CT2":"4336216","25_D6_AT3":"3831731","26_A6_DT3":"4244869","28_A6_AT3":"3847543","29_D6_CT3":"4469954","31_A6_CT3":"4463602","18_D6_CT2":"4301396"},{"Metabolite":"IDP","8_A6_DT1":"3309.936","9_A6_AT1":"7607.331","10_D6_CT1":"904.0745","11_D6_DT1":"2528.66","12_D6_AT1":"6080.72","16_D6_AT2":"3338.554","17_D6_DT2":"1186.936","7_A6_CT1":"3100.335","19_A6_AT2":"27151.42","20_A6_DT2":"922.5701","21_A6_CT2":"4240.98","25_D6_AT3":"1111.177","26_A6_DT3":"573.6037","28_A6_AT3":"4509.609","29_D6_CT3":"1269.359","31_A6_CT3":"2569.746","18_D6_CT2":"891.0364"},{"Metabolite":"folate","8_A6_DT1":"63062.76","9_A6_AT1":"63703.75","10_D6_CT1":"76871.65","11_D6_DT1":"69375.73","12_D6_AT1":"77233.35","16_D6_AT2":"60472.25","17_D6_DT2":"122455.9","7_A6_CT1":"55795.45","19_A6_AT2":"65035.26","20_A6_DT2":"103082.9","21_A6_CT2":"48367.78","25_D6_AT3":"96371.98","26_A6_DT3":"114418.8","28_A6_AT3":"67412.95","29_D6_CT3":"63097.95","31_A6_CT3":"55048.16","18_D6_CT2":"99181.8"},{"Metabolite":"GDP","8_A6_DT1":"433051.6","9_A6_AT1":"253837","10_D6_CT1":"397803.1","11_D6_DT1":"464262.8","12_D6_AT1":"260064.5","16_D6_AT2":"290201.8","17_D6_DT2":"406818.8","7_A6_CT1":"407104.9","19_A6_AT2":"331925.5","20_A6_DT2":"414208.7","21_A6_CT2":"431125.7","25_D6_AT3":"339115.3","26_A6_DT3":"490499.8","28_A6_AT3":"347975.3","29_D6_CT3":"553148.1","31_A6_CT3":"483220.2","18_D6_CT2":"419643.7"},{"Metabolite":"CDP-ethanolamine","8_A6_DT1":"2026130.2","9_A6_AT1":"1899176.1","10_D6_CT1":"1541563.9","11_D6_DT1":"1798435.8","12_D6_AT1":"1639906.4","16_D6_AT2":"1620282.1","17_D6_DT2":"2290355","7_A6_CT1":"1805233.1","19_A6_AT2":"1993563.8","20_A6_DT2":"1997754","21_A6_CT2":"1993536.7","25_D6_AT3":"2146934.3","26_A6_DT3":"2093397","28_A6_AT3":"2177515.6","29_D6_CT3":"1537832.6","31_A6_CT3":"2099070.8","18_D6_CT2":"1653003.2"},{"Metabolite":"Deoxycholic acid","8_A6_DT1":"18117.54","9_A6_AT1":"22939.67","10_D6_CT1":"25918.9","11_D6_DT1":"29523.12","12_D6_AT1":"29318.69","16_D6_AT2":"13606.17","17_D6_DT2":"18009.81","7_A6_CT1":"5388.724","19_A6_AT2":"2750.191","20_A6_DT2":"8822.618","21_A6_CT2":"3912.178","25_D6_AT3":"36116.44","26_A6_DT3":"5055.829","28_A6_AT3":"34715.84","29_D6_CT3":"19320.71","31_A6_CT3":"25913.42","18_D6_CT2":"22095.26"},{"Metabolite":"FMN","8_A6_DT1":"7011.922","9_A6_AT1":"6746.326","10_D6_CT1":"4809.912","11_D6_DT1":"6446.817","12_D6_AT1":"4300.384","16_D6_AT2":"3989.933","17_D6_DT2":"7732.907","7_A6_CT1":"6417.377","19_A6_AT2":"4950.842","20_A6_DT2":"7700.697","21_A6_CT2":"7354.835","25_D6_AT3":"6793.369","26_A6_DT3":"5395.004","28_A6_AT3":"5367.715","29_D6_CT3":"5675.067","31_A6_CT3":"6983.305","18_D6_CT2":"6139.5"},{"Metabolite":"cholesteryl sulfate","8_A6_DT1":"8120.625","9_A6_AT1":"7938.812","10_D6_CT1":"7108.877","11_D6_DT1":"7948.156","12_D6_AT1":"5599.324","16_D6_AT2":"7937.764","17_D6_DT2":"8062.121","7_A6_CT1":"6666.261","19_A6_AT2":"8630.949","20_A6_DT2":"8475.514","21_A6_CT2":"6464.229","25_D6_AT3":"7603.58","26_A6_DT3":"7256.859","28_A6_AT3":"7188.029","29_D6_CT3":"7535.584","31_A6_CT3":"8364.386","18_D6_CT2":"8158.359"},{"Metabolite":"dCTP","8_A6_DT1":"20395.04","9_A6_AT1":"18946.95","10_D6_CT1":"11961.94","11_D6_DT1":"2251.741","12_D6_AT1":"18832.23","16_D6_AT2":"7185.605","17_D6_DT2":"15450.87","7_A6_CT1":"1450.73","19_A6_AT2":"24833.14","20_A6_DT2":"8956.478","21_A6_CT2":"3234.182","25_D6_AT3":"4149.961","26_A6_DT3":"21402.88","28_A6_AT3":"8886.124","29_D6_CT3":"21005.07","31_A6_CT3":"1445.083","18_D6_CT2":"24851.26"},{"Metabolite":"nicotinate","8_A6_DT1":"6021.996","9_A6_AT1":"8253.573","10_D6_CT1":"4697.246","11_D6_DT1":"7042.362","12_D6_AT1":"10037.42","16_D6_AT2":"8733.766","17_D6_DT2":"10303.75","7_A6_CT1":"5332.651","19_A6_AT2":"8968.521","20_A6_DT2":"6439.158","21_A6_CT2":"5574.435","25_D6_AT3":"11614.41","26_A6_DT3":"7918.093","28_A6_AT3":"7744.763","29_D6_CT3":"4453.266","31_A6_CT3":"6359.207","18_D6_CT2":"4343.732"},{"Metabolite":"Pyroglutamic acid","8_A6_DT1":"595853.9","9_A6_AT1":"646964.18","10_D6_CT1":"590163.1","11_D6_DT1":"641511.6","12_D6_AT1":"674587.6","16_D6_AT2":"630759.74","17_D6_DT2":"676264.7","7_A6_CT1":"512313.81","19_A6_AT2":"1150090.6","20_A6_DT2":"599005.4","21_A6_CT2":"667023.1","25_D6_AT3":"817129","26_A6_DT3":"671019.5","28_A6_AT3":"727763.9","29_D6_CT3":"619970.5","31_A6_CT3":"821322.5","18_D6_CT2":"569284.7"},{"Metabolite":"Citraconic acid","8_A6_DT1":"54455.716","9_A6_AT1":"70631.797","10_D6_CT1":"37068.386","11_D6_DT1":"64556.59","12_D6_AT1":"50229.624","16_D6_AT2":"51080.122","17_D6_DT2":"68483.532","7_A6_CT1":"49536.066","19_A6_AT2":"137521.495","20_A6_DT2":"44625.587","21_A6_CT2":"61630.636","25_D6_AT3":"50804.692","26_A6_DT3":"48128.447","28_A6_AT3":"58463.355","29_D6_CT3":"49516.456","31_A6_CT3":"51527.044","18_D6_CT2":"39799.843"},{"Metabolite":"N-Acetyl-L-alanine","8_A6_DT1":"20300.67","9_A6_AT1":"22378.65","10_D6_CT1":"15566.96","11_D6_DT1":"26036.21","12_D6_AT1":"24343.78","16_D6_AT2":"21692.29","17_D6_DT2":"29725.99","7_A6_CT1":"18077.83","19_A6_AT2":"26599.47","20_A6_DT2":"18508.73","21_A6_CT2":"21644.54","25_D6_AT3":"29596.49","26_A6_DT3":"25119.58","28_A6_AT3":"29123.55","29_D6_CT3":"18816.53","31_A6_CT3":"24691.84","18_D6_CT2":"17951.87"},{"Metabolite":"Hydroxyisocaproic acid","8_A6_DT1":"10622.937","9_A6_AT1":"8921.087","10_D6_CT1":"8131.454","11_D6_DT1":"9130.793","12_D6_AT1":"10197.013","16_D6_AT2":"10605.506","17_D6_DT2":"8047.417","7_A6_CT1":"12863.134","19_A6_AT2":"9025.372","20_A6_DT2":"9625.878","21_A6_CT2":"11457.809","25_D6_AT3":"10290.188","26_A6_DT3":"8812.175","28_A6_AT3":"9122.843","29_D6_CT3":"8100.541","31_A6_CT3":"11929.423","18_D6_CT2":"8941.214"},{"Metabolite":"aspartate","8_A6_DT1":"444376","9_A6_AT1":"275616.3","10_D6_CT1":"345238.9","11_D6_DT1":"392010.8","12_D6_AT1":"224119.7","16_D6_AT2":"283617.4","17_D6_DT2":"591915.2","7_A6_CT1":"392251.7","19_A6_AT2":"328987.4","20_A6_DT2":"479004.3","21_A6_CT2":"449582.3","25_D6_AT3":"359528","26_A6_DT3":"464482.8","28_A6_AT3":"345964.4","29_D6_CT3":"340296.3","31_A6_CT3":"440565.8","18_D6_CT2":"412243.3"},{"Metabolite":"malate","8_A6_DT1":"157575.9","9_A6_AT1":"247770.8","10_D6_CT1":"162100.8","11_D6_DT1":"163537.5","12_D6_AT1":"223477.1","16_D6_AT2":"212871.5","17_D6_DT2":"214747","7_A6_CT1":"161007.9","19_A6_AT2":"252464","20_A6_DT2":"155872.4","21_A6_CT2":"167378.9","25_D6_AT3":"289885.7","26_A6_DT3":"185057.5","28_A6_AT3":"253508.2","29_D6_CT3":"144709.3","31_A6_CT3":"169457","18_D6_CT2":"173705.7"},{"Metabolite":"adenine","8_A6_DT1":"19501.37","9_A6_AT1":"14341.68","10_D6_CT1":"11734.32","11_D6_DT1":"12650.25","12_D6_AT1":"39877.82","16_D6_AT2":"18536.84","17_D6_DT2":"18258.33","7_A6_CT1":"15898.14","19_A6_AT2":"23871.12","20_A6_DT2":"28325.99","21_A6_CT2":"17242.86","25_D6_AT3":"16539.05","26_A6_DT3":"24388.57","28_A6_AT3":"24809.99","29_D6_CT3":"21828.62","31_A6_CT3":"10437.68","18_D6_CT2":"17954.92"},{"Metabolite":"a-ketoglutarate","8_A6_DT1":"163426.3","9_A6_AT1":"145701.6","10_D6_CT1":"121526.4","11_D6_DT1":"158358.2","12_D6_AT1":"148856.2","16_D6_AT2":"122477.8","17_D6_DT2":"208757.7","7_A6_CT1":"148788.9","19_A6_AT2":"144976","20_A6_DT2":"167417.3","21_A6_CT2":"152724.6","25_D6_AT3":"188045.6","26_A6_DT3":"179367.6","28_A6_AT3":"147926.6","29_D6_CT3":"104767.6","31_A6_CT3":"155750.3","18_D6_CT2":"135336.9"},{"Metabolite":"pyruvate","8_A6_DT1":"12382.34","9_A6_AT1":"13892.7","10_D6_CT1":"6163.285","11_D6_DT1":"13411.38","12_D6_AT1":"9335.771","16_D6_AT2":"5351.17","17_D6_DT2":"12830.82","7_A6_CT1":"6795.136","19_A6_AT2":"16550.83","20_A6_DT2":"8311.898","21_A6_CT2":"12497.71","25_D6_AT3":"7935.862","26_A6_DT3":"11829.77","28_A6_AT3":"8566.851","29_D6_CT3":"10939.1","31_A6_CT3":"9118.622","18_D6_CT2":"9620.124"},{"Metabolite":"lactate","8_A6_DT1":"165737.3","9_A6_AT1":"511932.3","10_D6_CT1":"93271.82","11_D6_DT1":"198019.3","12_D6_AT1":"320488.4","16_D6_AT2":"143971.6","17_D6_DT2":"93807.2","7_A6_CT1":"159056.8","19_A6_AT2":"1038075","20_A6_DT2":"75303.16","21_A6_CT2":"314990.3","25_D6_AT3":"154035.1","26_A6_DT3":"109005.5","28_A6_AT3":"276264.2","29_D6_CT3":"152742.7","31_A6_CT3":"187140.2","18_D6_CT2":"106672.2"},{"Metabolite":"acetoacetate","8_A6_DT1":"3268.7","9_A6_AT1":"2962.712","10_D6_CT1":"2156.782","11_D6_DT1":"3717.621","12_D6_AT1":"3084.417","16_D6_AT2":"3429.802","17_D6_DT2":"3095.184","7_A6_CT1":"3673.991","19_A6_AT2":"4578.154","20_A6_DT2":"3619.098","21_A6_CT2":"3263.607","25_D6_AT3":"3832.487","26_A6_DT3":"5166.231","28_A6_AT3":"3795.17","29_D6_CT3":"4752.161","31_A6_CT3":"5087.829","18_D6_CT2":"3215.327"},{"Metabolite":"dimethylglycine","8_A6_DT1":"1682165.8","9_A6_AT1":"1673874.8","10_D6_CT1":"1539589","11_D6_DT1":"1594749.3","12_D6_AT1":"1473916.7","16_D6_AT2":"1628659","17_D6_DT2":"1956414.3","7_A6_CT1":"1606622.9","19_A6_AT2":"1882458.8","20_A6_DT2":"1698922.1","21_A6_CT2":"1720155.3","25_D6_AT3":"1890817.8","26_A6_DT3":"1763959.6","28_A6_AT3":"1817611.5","29_D6_CT3":"1494124.2","31_A6_CT3":"1753420.6","18_D6_CT2":"1618311.2"},{"Metabolite":"4-aminobutyrate","8_A6_DT1":"846592.4","9_A6_AT1":"781304.7","10_D6_CT1":"756219.2","11_D6_DT1":"802189.8","12_D6_AT1":"710885.8","16_D6_AT2":"860585.8","17_D6_DT2":"1027812","7_A6_CT1":"802087.2","19_A6_AT2":"943302.7","20_A6_DT2":"894852","21_A6_CT2":"873199.5","25_D6_AT3":"960187.1","26_A6_DT3":"857984.2","28_A6_AT3":"867005.1","29_D6_CT3":"721752.8","31_A6_CT3":"878565.7","18_D6_CT2":"823727.8"},{"Metabolite":"glycerate","8_A6_DT1":"8694.807","9_A6_AT1":"11247.68","10_D6_CT1":"6796.381","11_D6_DT1":"10803.33","12_D6_AT1":"8943.817","16_D6_AT2":"6437.009","17_D6_DT2":"8859.032","7_A6_CT1":"9064.089","19_A6_AT2":"24593.04","20_A6_DT2":"6590.83","21_A6_CT2":"10201.92","25_D6_AT3":"9217.852","26_A6_DT3":"7266.437","28_A6_AT3":"11428.03","29_D6_CT3":"8585.241","31_A6_CT3":"9369.911","18_D6_CT2":"7231.777"},{"Metabolite":"fumarate","8_A6_DT1":"122100.298","9_A6_AT1":"191431.367","10_D6_CT1":"121840.206","11_D6_DT1":"138061.476","12_D6_AT1":"175535.827","16_D6_AT2":"173422.78","17_D6_DT2":"171524.338","7_A6_CT1":"134076.623","19_A6_AT2":"213356.18","20_A6_DT2":"120922.334","21_A6_CT2":"131187.662","25_D6_AT3":"231976.01","26_A6_DT3":"144133.427","28_A6_AT3":"188755.857","29_D6_CT3":"109362.761","31_A6_CT3":"139790.174","18_D6_CT2":"135664.525"},{"Metabolite":"succinate","8_A6_DT1":"113947","9_A6_AT1":"118686.5","10_D6_CT1":"90289","11_D6_DT1":"124933.9","12_D6_AT1":"106147.1","16_D6_AT2":"105618.2","17_D6_DT2":"147843.2","7_A6_CT1":"116071.1","19_A6_AT2":"123886.2","20_A6_DT2":"119806.8","21_A6_CT2":"107988.8","25_D6_AT3":"133324.6","26_A6_DT3":"122616.5","28_A6_AT3":"130205","29_D6_CT3":"87881.15","31_A6_CT3":"109866.5","18_D6_CT2":"96001.1"},{"Metabolite":"purine","8_A6_DT1":"4721.577","9_A6_AT1":"3733.48","10_D6_CT1":"2679.688","11_D6_DT1":"3585.038","12_D6_AT1":"2657.857","16_D6_AT2":"4903.525","17_D6_DT2":"4949.534","7_A6_CT1":"5149.379","19_A6_AT2":"9617.103","20_A6_DT2":"3309.502","21_A6_CT2":"4595.417","25_D6_AT3":"3701.716","26_A6_DT3":"3237.369","28_A6_AT3":"4695.717","29_D6_CT3":"4071.152","31_A6_CT3":"5001.277","18_D6_CT2":"3138.961"},{"Metabolite":"myo-inositol","8_A6_DT1":"7282.278","9_A6_AT1":"12281.161","10_D6_CT1":"3085.82","11_D6_DT1":"6010.987","12_D6_AT1":"6720.047","16_D6_AT2":"4573.219","17_D6_DT2":"5460.53","7_A6_CT1":"6537.11","19_A6_AT2":"27394.607","20_A6_DT2":"3214.117","21_A6_CT2":"8699.017","25_D6_AT3":"5770.23","26_A6_DT3":"6445.271","28_A6_AT3":"8505.686","29_D6_CT3":"5166.593","31_A6_CT3":"6322.366","18_D6_CT2":"3760.658"},{"Metabolite":"dihydroxy-acetone-phosphate","8_A6_DT1":"784.1943","9_A6_AT1":"2234.088","10_D6_CT1":"564.7554","11_D6_DT1":"722.4645","12_D6_AT1":"721.6626","16_D6_AT2":"740.8591","17_D6_DT2":"480.2976","7_A6_CT1":"490.4869","19_A6_AT2":"7663.577","20_A6_DT2":"595.6085","21_A6_CT2":"1503.326","25_D6_AT3":"768.4969","26_A6_DT3":"334.0028","28_A6_AT3":"1224.774","29_D6_CT3":"707.3986","31_A6_CT3":"1327.861","18_D6_CT2":"657.1722"},{"Metabolite":"sn-glycerol-3-phosphate","8_A6_DT1":"202138.376","9_A6_AT1":"338475.29","10_D6_CT1":"163800.098","11_D6_DT1":"203520.647","12_D6_AT1":"283172.091","16_D6_AT2":"308360.481","17_D6_DT2":"228666.455","7_A6_CT1":"178307.647","19_A6_AT2":"481174.981","20_A6_DT2":"173652.6395","21_A6_CT2":"212335.607","25_D6_AT3":"419685.993","26_A6_DT3":"182237.06","28_A6_AT3":"345859.709","29_D6_CT3":"231377.222","31_A6_CT3":"196199.345","18_D6_CT2":"180680.674"},{"Metabolite":"aconitate","8_A6_DT1":"3970.919","9_A6_AT1":"5907.606","10_D6_CT1":"5208.619","11_D6_DT1":"5367.786","12_D6_AT1":"3974.196","16_D6_AT2":"5939.849","17_D6_DT2":"6287.196","7_A6_CT1":"5836.469","19_A6_AT2":"5443.857","20_A6_DT2":"6206.502","21_A6_CT2":"6861.113","25_D6_AT3":"6449.994","26_A6_DT3":"5900.737","28_A6_AT3":"6065.137","29_D6_CT3":"6861.518","31_A6_CT3":"7454.352","18_D6_CT2":"6596.251"},{"Metabolite":"N-carbamoyl-L-aspartate","8_A6_DT1":"8091.228","9_A6_AT1":"5113.994","10_D6_CT1":"10031.65","11_D6_DT1":"229622.1","12_D6_AT1":"117661.4","16_D6_AT2":"94790.38","17_D6_DT2":"197560.2","7_A6_CT1":"3015.65","19_A6_AT2":"10261.56","20_A6_DT2":"8651.965","21_A6_CT2":"3389.031","25_D6_AT3":"151750.3","26_A6_DT3":"8211.169","28_A6_AT3":"4566.638","29_D6_CT3":"10872.42","31_A6_CT3":"2431.637","18_D6_CT2":"11755.51"},{"Metabolite":"glucono-δ-lactone","8_A6_DT1":"21429.585","9_A6_AT1":"56764.27","10_D6_CT1":"6208.455","11_D6_DT1":"20514.751","12_D6_AT1":"30966.91","16_D6_AT2":"22166.943","17_D6_DT2":"10751.792","7_A6_CT1":"19684.604","19_A6_AT2":"157032.679","20_A6_DT2":"7341.9688","21_A6_CT2":"36234.373","25_D6_AT3":"9742.974","26_A6_DT3":"9521.641","28_A6_AT3":"30290.107","29_D6_CT3":"8008.587","31_A6_CT3":"20704.895","18_D6_CT2":"7440.927"},{"Metabolite":"hydroxyphenylpyruvate","8_A6_DT1":"5118.092","9_A6_AT1":"4737.145","10_D6_CT1":"7239.87","11_D6_DT1":"7009.206","12_D6_AT1":"5758.816","16_D6_AT2":"7415.625","17_D6_DT2":"7707.557","7_A6_CT1":"4006.679","19_A6_AT2":"6505.334","20_A6_DT2":"4390.304","21_A6_CT2":"7084.9","25_D6_AT3":"7618.775","26_A6_DT3":"4017.286","28_A6_AT3":"7402.711","29_D6_CT3":"7119.011","31_A6_CT3":"6511.788","18_D6_CT2":"6767.952"},{"Metabolite":"4-Pyridoxic acid","8_A6_DT1":"3419.491","9_A6_AT1":"3091.039","10_D6_CT1":"2950.101","11_D6_DT1":"2847.941","12_D6_AT1":"1703.807","16_D6_AT2":"2764.933","17_D6_DT2":"4187.595","7_A6_CT1":"3152.817","19_A6_AT2":"3266.269","20_A6_DT2":"3755.956","21_A6_CT2":"3223.087","25_D6_AT3":"5263.261","26_A6_DT3":"3066.29","28_A6_AT3":"3535.59","29_D6_CT3":"1976.094","31_A6_CT3":"2993.477","18_D6_CT2":"2754.834"},{"Metabolite":"3-phospho-serine","8_A6_DT1":"50324.56","9_A6_AT1":"55851.95","10_D6_CT1":"37401.72","11_D6_DT1":"48900.83","12_D6_AT1":"42782.72","16_D6_AT2":"43224.14","17_D6_DT2":"66626.66","7_A6_CT1":"52483.14","19_A6_AT2":"59221.02","20_A6_DT2":"57668.08","21_A6_CT2":"53440.34","25_D6_AT3":"58057.74","26_A6_DT3":"61297.57","28_A6_AT3":"53359.1","29_D6_CT3":"44520.18","31_A6_CT3":"64797.5","18_D6_CT2":"42748.08"},{"Metabolite":"3-phosphoglycerate","8_A6_DT1":"43239.43","9_A6_AT1":"82625.8","10_D6_CT1":"26447.64","11_D6_DT1":"48917.79","12_D6_AT1":"45388","16_D6_AT2":"45836.88","17_D6_DT2":"32869.86","7_A6_CT1":"49438.14","19_A6_AT2":"280506.4","20_A6_DT2":"25297.62","21_A6_CT2":"80416.12","25_D6_AT3":"35899.52","26_A6_DT3":"27899.24","28_A6_AT3":"54579.28","29_D6_CT3":"42059.83","31_A6_CT3":"49942.66","18_D6_CT2":"28311.09"},{"Metabolite":"N-acetyl-glutamate","8_A6_DT1":"174597.35","9_A6_AT1":"138707.07","10_D6_CT1":"138954.83","11_D6_DT1":"148447.59","12_D6_AT1":"143105.56","16_D6_AT2":"141788.45","17_D6_DT2":"198507.72","7_A6_CT1":"147257","19_A6_AT2":"42175.76","20_A6_DT2":"157822.26","21_A6_CT2":"158822.03","25_D6_AT3":"198585.7","26_A6_DT3":"49127.9846","28_A6_AT3":"192728.05","29_D6_CT3":"139231.25","31_A6_CT3":"161454.23","18_D6_CT2":"141533.16"},{"Metabolite":"isocitrate","8_A6_DT1":"111538.279","9_A6_AT1":"122790.527","10_D6_CT1":"120384.851","11_D6_DT1":"118981.603","12_D6_AT1":"94655.334","16_D6_AT2":"111614.996","17_D6_DT2":"159282.961","7_A6_CT1":"113612.332","19_A6_AT2":"107063.974","20_A6_DT2":"132948.96","21_A6_CT2":"129632.528","25_D6_AT3":"112607.795","26_A6_DT3":"130287.395","28_A6_AT3":"131624.677","29_D6_CT3":"141478.537","31_A6_CT3":"137553.112","18_D6_CT2":"118829.989"},{"Metabolite":"citrate/isocitrate","8_A6_DT1":"111538.279","9_A6_AT1":"122790.527","10_D6_CT1":"120384.851","11_D6_DT1":"118981.603","12_D6_AT1":"94655.334","16_D6_AT2":"111614.996","17_D6_DT2":"159282.961","7_A6_CT1":"113612.332","19_A6_AT2":"107063.974","20_A6_DT2":"132948.96","21_A6_CT2":"129632.528","25_D6_AT3":"112607.795","26_A6_DT3":"130287.395","28_A6_AT3":"131624.677","29_D6_CT3":"141478.537","31_A6_CT3":"137553.112","18_D6_CT2":"118829.989"},{"Metabolite":"citrate","8_A6_DT1":"111538.279","9_A6_AT1":"122790.527","10_D6_CT1":"120384.851","11_D6_DT1":"118981.603","12_D6_AT1":"94655.334","16_D6_AT2":"111614.996","17_D6_DT2":"159282.961","7_A6_CT1":"113612.332","19_A6_AT2":"107063.974","20_A6_DT2":"132948.96","21_A6_CT2":"129632.528","25_D6_AT3":"112607.795","26_A6_DT3":"130287.395","28_A6_AT3":"131624.677","29_D6_CT3":"141478.537","31_A6_CT3":"137553.112","18_D6_CT2":"118829.989"},{"Metabolite":"glutamate","8_A6_DT1":"3619321","9_A6_AT1":"3594990","10_D6_CT1":"3258800","11_D6_DT1":"3384558","12_D6_AT1":"3274031","16_D6_AT2":"3451142","17_D6_DT2":"4115102","7_A6_CT1":"3477887","19_A6_AT2":"3990080","20_A6_DT2":"3523724","21_A6_CT2":"3697474","25_D6_AT3":"4097475","26_A6_DT3":"3807653","28_A6_AT3":"4210071","29_D6_CT3":"3202427","31_A6_CT3":"3819671","18_D6_CT2":"3494475"},{"Metabolite":"3-methylphenylacetic acid","8_A6_DT1":"1929.503","9_A6_AT1":"919.2664","10_D6_CT1":"1193.969","11_D6_DT1":"1125.41","12_D6_AT1":"7777.826","16_D6_AT2":"1505.324","17_D6_DT2":"1121.131","7_A6_CT1":"5316.571","19_A6_AT2":"5163.824","20_A6_DT2":"2392.48","21_A6_CT2":"1785.234","25_D6_AT3":"713.0798","26_A6_DT3":"2921.282","28_A6_AT3":"4114.876","29_D6_CT3":"935.3358","31_A6_CT3":"1495.674","18_D6_CT2":"1246.113"},{"Metabolite":"orotate","8_A6_DT1":"956.284","9_A6_AT1":"23378.25","10_D6_CT1":"1033.199","11_D6_DT1":"28949.19","12_D6_AT1":"32202.44","16_D6_AT2":"22714.33","17_D6_DT2":"34071.86","7_A6_CT1":"976.9192","19_A6_AT2":"1339.526","20_A6_DT2":"1231.057","21_A6_CT2":"1294.24","25_D6_AT3":"42427.64","26_A6_DT3":"2212.28","28_A6_AT3":"1275.749","29_D6_CT3":"1693.352","31_A6_CT3":"1237.618","18_D6_CT2":"742.0859"},{"Metabolite":"dihydroorotate","8_A6_DT1":"1027.633","9_A6_AT1":"1297.913","10_D6_CT1":"1233.347","11_D6_DT1":"69084.39","12_D6_AT1":"29660.68","16_D6_AT2":"17039.18","17_D6_DT2":"47750.46","7_A6_CT1":"306.1908","19_A6_AT2":"1145.342","20_A6_DT2":"594.1436","21_A6_CT2":"375.1951","25_D6_AT3":"36804.09","26_A6_DT3":"1184.816","28_A6_AT3":"791.6589","29_D6_CT3":"1156.09","31_A6_CT3":"229.3602","18_D6_CT2":"879.7903"},{"Metabolite":"2-Aminooctanoic acid","8_A6_DT1":"265045","9_A6_AT1":"365441.2","10_D6_CT1":"357575.5","11_D6_DT1":"546384.3","12_D6_AT1":"536420.5","16_D6_AT2":"240128.2","17_D6_DT2":"299346.3","7_A6_CT1":"267797.2","19_A6_AT2":"173957.1","20_A6_DT2":"188842.5","21_A6_CT2":"147921.2","25_D6_AT3":"478866.5","26_A6_DT3":"169441.2","28_A6_AT3":"499800.3","29_D6_CT3":"545842.3","31_A6_CT3":"532180.6","18_D6_CT2":"357685.2"},{"Metabolite":"Indole-3-carboxylic acid","8_A6_DT1":"139.2836","9_A6_AT1":"6381.281","10_D6_CT1":"0","11_D6_DT1":"0","12_D6_AT1":"0","16_D6_AT2":"0","17_D6_DT2":"0","7_A6_CT1":"0","19_A6_AT2":"0","20_A6_DT2":"0","21_A6_CT2":"0","25_D6_AT3":"0","26_A6_DT3":"0","28_A6_AT3":"0","29_D6_CT3":"0","31_A6_CT3":"0","18_D6_CT2":"0"},{"Metabolite":"phenylalanine","8_A6_DT1":"17668.31","9_A6_AT1":"21486.58","10_D6_CT1":"14360.29","11_D6_DT1":"22382.84","12_D6_AT1":"21575.56","16_D6_AT2":"19667.52","17_D6_DT2":"22132.38","7_A6_CT1":"18079.8","19_A6_AT2":"41613.88","20_A6_DT2":"16687.47","21_A6_CT2":"32171.86","25_D6_AT3":"25961.24","26_A6_DT3":"15907.88","28_A6_AT3":"25110.84","29_D6_CT3":"16746.31","31_A6_CT3":"18101.36","18_D6_CT2":"12387.23"},{"Metabolite":"Phenyllactic acid","8_A6_DT1":"14600.2","9_A6_AT1":"15057.62","10_D6_CT1":"24338.12","11_D6_DT1":"20688.08","12_D6_AT1":"19837.47","16_D6_AT2":"22756.17","17_D6_DT2":"21667.51","7_A6_CT1":"12440.24","19_A6_AT2":"22196.76","20_A6_DT2":"13730.58","21_A6_CT2":"25900.53","25_D6_AT3":"21672.97","26_A6_DT3":"12641.1","28_A6_AT3":"19906.1","29_D6_CT3":"21442.08","31_A6_CT3":"17076.78","18_D6_CT2":"17754.12"},{"Metabolite":"Atrolactic acid","8_A6_DT1":"14600.2","9_A6_AT1":"15057.62","10_D6_CT1":"24338.12","11_D6_DT1":"20688.08","12_D6_AT1":"19837.47","16_D6_AT2":"22756.17","17_D6_DT2":"21667.51","7_A6_CT1":"12440.24","19_A6_AT2":"22196.76","20_A6_DT2":"13730.58","21_A6_CT2":"25900.53","25_D6_AT3":"21672.97","26_A6_DT3":"12641.1","28_A6_AT3":"19906.1","29_D6_CT3":"21442.08","31_A6_CT3":"17076.78","18_D6_CT2":"17754.12"},{"Metabolite":"phosphoenolpyruvate","8_A6_DT1":"31021.585","9_A6_AT1":"26724.558","10_D6_CT1":"21804.114","11_D6_DT1":"26337.834","12_D6_AT1":"25054.9552","16_D6_AT2":"34026.89","17_D6_DT2":"33635.686","7_A6_CT1":"51349.068","19_A6_AT2":"53762.561","20_A6_DT2":"36268.177","21_A6_CT2":"26373.3106","25_D6_AT3":"44934.79","26_A6_DT3":"21970.719","28_A6_AT3":"27122.019","29_D6_CT3":"24104.747","31_A6_CT3":"25289.0184","18_D6_CT2":"22795.334"},{"Metabolite":"Uric acid","8_A6_DT1":"0","9_A6_AT1":"2812.283","10_D6_CT1":"1340.989","11_D6_DT1":"4644.339","12_D6_AT1":"2064.1","16_D6_AT2":"900.1575","17_D6_DT2":"0","7_A6_CT1":"178.4658","19_A6_AT2":"3014.209","20_A6_DT2":"1626.756","21_A6_CT2":"316.4884","25_D6_AT3":"1549.336","26_A6_DT3":"5743.206","28_A6_AT3":"795.8619","29_D6_CT3":"2938.68","31_A6_CT3":"2971.579","18_D6_CT2":"726.3682"},{"Metabolite":"Pyridoxamine","8_A6_DT1":"6182.623","9_A6_AT1":"4293.046","10_D6_CT1":"7836.536","11_D6_DT1":"6668.022","12_D6_AT1":"5980.613","16_D6_AT2":"4955.098","17_D6_DT2":"8817.437","7_A6_CT1":"5369.21","19_A6_AT2":"8246.931","20_A6_DT2":"6273.576","21_A6_CT2":"4102.688","25_D6_AT3":"8758.28","26_A6_DT3":"8329.211","28_A6_AT3":"6577.184","29_D6_CT3":"6631.494","31_A6_CT3":"5644.844","18_D6_CT2":"6753.435"}],

"Metabolites":[{"metabolite_name":"guanosine"},{"metabolite_name":"dCMP"},{"metabolite_name":"N-acetyl-glucosamine-1/6-phosphate"},{"metabolite_name":"7-methylguanosine"},{"metabolite_name":"S-methyl-5'-thioadenosine"},{"metabolite_name":"D-sedoheptulose-1/7-phosphate"},{"metabolite_name":"glutathione"},{"metabolite_name":"6-phospho-D-gluconate"},{"metabolite_name":"inosine"},{"metabolite_name":"1_3-diphopshateglycerate"},{"metabolite_name":"2_3-Diphosphoglyceric acid"},{"metabolite_name":"dTMP"},{"metabolite_name":"CMP"},{"metabolite_name":"UMP"},{"metabolite_name":"cyclic-AMP"},{"metabolite_name":"dAMP"},{"metabolite_name":"aminoimidazole carboxamide ribonucleotide"},{"metabolite_name":"fructose-1-6-bisphosphate"},{"metabolite_name":"dGMP"},{"metabolite_name":"D-erythrose-4-phosphate"},{"metabolite_name":"NG-dimethyl-L-arginine"},{"metabolite_name":"tryptophan"},{"metabolite_name":"pantothenate"},{"metabolite_name":"AMP"},{"metabolite_name":"thymidine"},{"metabolite_name":"glucose-6-phosphate"},{"metabolite_name":"glucose-1-phosphate"},{"metabolite_name":"dTTP"},{"metabolite_name":"CTP"},{"metabolite_name":"UTP"},{"metabolite_name":"CDP-choline"},{"metabolite_name":"dATP"},{"metabolite_name":"Taurodeoxycholic acid"},{"metabolite_name":"ATP"},{"metabolite_name":"GTP"},{"metabolite_name":"UDP-D-glucose"},{"metabolite_name":"UDP-D-glucuronate"},{"metabolite_name":"ADP-D-glucose"},{"metabolite_name":"UDP-N-acetyl-glucosamine"},{"metabolite_name":"glutathione disulfide"},{"metabolite_name":"NADH"},{"metabolite_name":"NADP+"},{"metabolite_name":"NADPH"},{"metabolite_name":"coenzyme A"},{"metabolite_name":"FAD"},{"metabolite_name":"acetyl-CoA"},{"metabolite_name":"UDP"},{"metabolite_name":"IMP"},{"metabolite_name":"GMP"},{"metabolite_name":"xanthosine-5-phosphate"},{"metabolite_name":"Sedoheptoluse bisphosphate"},{"metabolite_name":"S-adenosyl-L-homoCysteine"},{"metabolite_name":"dCDP"},{"metabolite_name":"5-phosphoribosyl-1-pyrophosphate"},{"metabolite_name":"Octoluse Bisphosphate"},{"metabolite_name":"dTDP"},{"metabolite_name":"CDP"},{"metabolite_name":"D-gluconate"},{"metabolite_name":"Cholic acid"},{"metabolite_name":"adenosine 5'-phosphosulfate"},{"metabolite_name":"ADP"},{"metabolite_name":"IDP"},{"metabolite_name":"folate"},{"metabolite_name":"GDP"},{"metabolite_name":"CDP-ethanolamine"},{"metabolite_name":"Deoxycholic acid"},{"metabolite_name":"FMN"},{"metabolite_name":"cholesteryl sulfate"},{"metabolite_name":"dCTP"},{"metabolite_name":"nicotinate"},{"metabolite_name":"Pyroglutamic acid"},{"metabolite_name":"Citraconic acid"},{"metabolite_name":"N-Acetyl-L-alanine"},{"metabolite_name":"Hydroxyisocaproic acid"},{"metabolite_name":"aspartate"},{"metabolite_name":"malate"},{"metabolite_name":"adenine"},{"metabolite_name":"a-ketoglutarate"},{"metabolite_name":"pyruvate"},{"metabolite_name":"lactate"},{"metabolite_name":"acetoacetate"},{"metabolite_name":"dimethylglycine"},{"metabolite_name":"4-aminobutyrate"},{"metabolite_name":"glycerate"},{"metabolite_name":"fumarate"},{"metabolite_name":"succinate"},{"metabolite_name":"purine"},{"metabolite_name":"myo-inositol"},{"metabolite_name":"dihydroxy-acetone-phosphate"},{"metabolite_name":"sn-glycerol-3-phosphate"},{"metabolite_name":"aconitate"},{"metabolite_name":"N-carbamoyl-L-aspartate"},{"metabolite_name":"glucono-δ-lactone"},{"metabolite_name":"hydroxyphenylpyruvate"},{"metabolite_name":"4-Pyridoxic acid"},{"metabolite_name":"3-phospho-serine"},{"metabolite_name":"3-phosphoglycerate"},{"metabolite_name":"N-acetyl-glutamate"},{"metabolite_name":"isocitrate"},{"metabolite_name":"citrate/isocitrate"},{"metabolite_name":"citrate"},{"metabolite_name":"glutamate"},{"metabolite_name":"3-methylphenylacetic acid"},{"metabolite_name":"orotate"},{"metabolite_name":"dihydroorotate"},{"metabolite_name":"2-Aminooctanoic acid"},{"metabolite_name":"Indole-3-carboxylic acid"},{"metabolite_name":"phenylalanine"},{"metabolite_name":"Phenyllactic acid"},{"metabolite_name":"Atrolactic acid"},{"metabolite_name":"phosphoenolpyruvate"},{"metabolite_name":"Uric acid"},{"metabolite_name":"Pyridoxamine"}]
}

}