{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002226","ANALYSIS_ID":"AN003635","VERSION":"1","CREATED_ON":"July 15, 2022, 12:56 pm"},

"PROJECT":{"PROJECT_TITLE":"Dynamic partitioning of branched-chain amino acids-derived nitrogen supports renal cancer progression","PROJECT_SUMMARY":"Metabolic reprogramming is critical for tumor initiation and progression. However, the exact impact of specific metabolic changes on cancer progression is poorly understood. Here, we integrate multimodal analyses of primary and metastatic clonally related clear cell renal cancer cells (ccRCC) grown in physiological media to identify key stage-specific metabolic vulnerabilities. We show that a VHL loss-dependent reprogramming of branched-chain amino acid catabolism sustains the de novo biosynthesis of aspartate and arginine enabling tumor cells with the flexibility of partitioning the nitrogen of the amino acids depending on their needs. Importantly, we identify the epigenetic reactivation of argininosuccinate synthase (ASS1), a urea cycle enzyme suppressed in primary ccRCC, as a crucial event for metastatic renal cancer cells to acquire the capability to generate arginine, invade in vitro and metastasize in vivo. Overall, our study uncovers a novel mechanism of metabolic flexibility occurring during ccRCC progression, paving the way for the development of novel stage-specific therapies.","INSTITUTE":"CECAD Research Center","LAST_NAME":"Yang","FIRST_NAME":"Ming","ADDRESS":"Joseph-Stelzmann-Straße 26, Köln, Koeln, 50931, Germany","EMAIL":"ming.yang@uni-koeln.de","PHONE":"4922147884306"},

"STUDY":{"STUDY_TITLE":"Exometabolomics of HK2, 786-O cells cultured in Plasmax media","STUDY_SUMMARY":"The objective of this study is to analyse the exometabolomics of human epithelial renal cell line HK2 and clear cell renal cell carcinoma (ccRCC) cell lines 786-O, 786-M1A, 786-M2A, OS-RC-2, OS-LM1 and RFX-631 that are cultured with the Plasmax media. This is part 3 of the study, and the experimental number is MS51.","INSTITUTE":"CECAD Research Center","LAST_NAME":"Yang","FIRST_NAME":"Ming","ADDRESS":"Joseph-Stelzmann-Straße 26, Köln, Koeln, 50931, Germany","EMAIL":"ming.yang@uni-koeln.de","PHONE":"4922147884306"},

"SUBJECT":{"SUBJECT_TYPE":"Cultured cells","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"MS51-01",
"Factors":{"Cell line":"No cell","Sample type":"control media"},
"Additional sample data":{"RAW_FILE_NAME":"MS51-01"}
},
{
"Subject ID":"-",
"Sample ID":"MS51-02",
"Factors":{"Cell line":"No cell","Sample type":"control media"},
"Additional sample data":{"RAW_FILE_NAME":"MS51-02"}
},
{
"Subject ID":"-",
"Sample ID":"MS51-03",
"Factors":{"Cell line":"No cell","Sample type":"control media"},
"Additional sample data":{"RAW_FILE_NAME":"MS51-03"}
},
{
"Subject ID":"-",
"Sample ID":"MS51-04",
"Factors":{"Cell line":"No cell","Sample type":"control media"},
"Additional sample data":{"RAW_FILE_NAME":"MS51-04"}
},
{
"Subject ID":"-",
"Sample ID":"MS51-05",
"Factors":{"Cell line":"No cell","Sample type":"control media"},
"Additional sample data":{"RAW_FILE_NAME":"MS51-05"}
},
{
"Subject ID":"-",
"Sample ID":"MS51-06",
"Factors":{"Cell line":"HK2","Sample type":"conditioned media"},
"Additional sample data":{"RAW_FILE_NAME":"MS51-06"}
},
{
"Subject ID":"-",
"Sample ID":"MS51-07",
"Factors":{"Cell line":"HK2","Sample type":"conditioned media"},
"Additional sample data":{"RAW_FILE_NAME":"MS51-07"}
},
{
"Subject ID":"-",
"Sample ID":"MS51-08",
"Factors":{"Cell line":"HK2","Sample type":"conditioned media"},
"Additional sample data":{"RAW_FILE_NAME":"MS51-08"}
},
{
"Subject ID":"-",
"Sample ID":"MS51-09",
"Factors":{"Cell line":"HK2","Sample type":"conditioned media"},
"Additional sample data":{"RAW_FILE_NAME":"MS51-09"}
},
{
"Subject ID":"-",
"Sample ID":"MS51-10",
"Factors":{"Cell line":"HK2","Sample type":"conditioned media"},
"Additional sample data":{"RAW_FILE_NAME":"MS51-10"}
},
{
"Subject ID":"-",
"Sample ID":"MS51-11",
"Factors":{"Cell line":"786-O","Sample type":"conditioned media"},
"Additional sample data":{"RAW_FILE_NAME":"MS51-11"}
},
{
"Subject ID":"-",
"Sample ID":"MS51-12",
"Factors":{"Cell line":"786-O","Sample type":"conditioned media"},
"Additional sample data":{"RAW_FILE_NAME":"MS51-12"}
},
{
"Subject ID":"-",
"Sample ID":"MS51-13",
"Factors":{"Cell line":"786-O","Sample type":"conditioned media"},
"Additional sample data":{"RAW_FILE_NAME":"MS51-13"}
},
{
"Subject ID":"-",
"Sample ID":"MS51-14",
"Factors":{"Cell line":"786-O","Sample type":"conditioned media"},
"Additional sample data":{"RAW_FILE_NAME":"MS51-14"}
},
{
"Subject ID":"-",
"Sample ID":"MS51-15",
"Factors":{"Cell line":"786-O","Sample type":"conditioned media"},
"Additional sample data":{"RAW_FILE_NAME":"MS51-15"}
},
{
"Subject ID":"-",
"Sample ID":"MS51-16",
"Factors":{"Cell line":"786-M1A","Sample type":"conditioned media"},
"Additional sample data":{"RAW_FILE_NAME":"MS51-16"}
},
{
"Subject ID":"-",
"Sample ID":"MS51-17",
"Factors":{"Cell line":"786-M1A","Sample type":"conditioned media"},
"Additional sample data":{"RAW_FILE_NAME":"MS51-17"}
},
{
"Subject ID":"-",
"Sample ID":"MS51-18",
"Factors":{"Cell line":"786-M1A","Sample type":"conditioned media"},
"Additional sample data":{"RAW_FILE_NAME":"MS51-18"}
},
{
"Subject ID":"-",
"Sample ID":"MS51-19",
"Factors":{"Cell line":"786-M1A","Sample type":"conditioned media"},
"Additional sample data":{"RAW_FILE_NAME":"MS51-19"}
},
{
"Subject ID":"-",
"Sample ID":"MS51-20",
"Factors":{"Cell line":"786-M1A","Sample type":"conditioned media"},
"Additional sample data":{"RAW_FILE_NAME":"MS51-20"}
},
{
"Subject ID":"-",
"Sample ID":"MS51-21",
"Factors":{"Cell line":"786-M2A","Sample type":"conditioned media"},
"Additional sample data":{"RAW_FILE_NAME":"MS51-21"}
},
{
"Subject ID":"-",
"Sample ID":"MS51-23",
"Factors":{"Cell line":"786-M2A","Sample type":"conditioned media"},
"Additional sample data":{"RAW_FILE_NAME":"MS51-23"}
},
{
"Subject ID":"-",
"Sample ID":"MS51-24",
"Factors":{"Cell line":"786-M2A","Sample type":"conditioned media"},
"Additional sample data":{"RAW_FILE_NAME":"MS51-24"}
},
{
"Subject ID":"-",
"Sample ID":"MS51-25",
"Factors":{"Cell line":"786-M2A","Sample type":"conditioned media"},
"Additional sample data":{"RAW_FILE_NAME":"MS51-25"}
},
{
"Subject ID":"-",
"Sample ID":"MS51-26",
"Factors":{"Cell line":"OSRC2","Sample type":"conditioned media"},
"Additional sample data":{"RAW_FILE_NAME":"MS51-26"}
},
{
"Subject ID":"-",
"Sample ID":"MS51-27",
"Factors":{"Cell line":"OSRC2","Sample type":"conditioned media"},
"Additional sample data":{"RAW_FILE_NAME":"MS51-27"}
},
{
"Subject ID":"-",
"Sample ID":"MS51-28",
"Factors":{"Cell line":"OSRC2","Sample type":"conditioned media"},
"Additional sample data":{"RAW_FILE_NAME":"MS51-28"}
},
{
"Subject ID":"-",
"Sample ID":"MS51-29",
"Factors":{"Cell line":"OSRC2","Sample type":"conditioned media"},
"Additional sample data":{"RAW_FILE_NAME":"MS51-29"}
},
{
"Subject ID":"-",
"Sample ID":"MS51-30",
"Factors":{"Cell line":"OSRC2","Sample type":"conditioned media"},
"Additional sample data":{"RAW_FILE_NAME":"MS51-30"}
},
{
"Subject ID":"-",
"Sample ID":"MS51-31",
"Factors":{"Cell line":"OSLM1B","Sample type":"conditioned media"},
"Additional sample data":{"RAW_FILE_NAME":"MS51-31"}
},
{
"Subject ID":"-",
"Sample ID":"MS51-32",
"Factors":{"Cell line":"OSLM1B","Sample type":"conditioned media"},
"Additional sample data":{"RAW_FILE_NAME":"MS51-32"}
},
{
"Subject ID":"-",
"Sample ID":"MS51-33",
"Factors":{"Cell line":"OSLM1B","Sample type":"conditioned media"},
"Additional sample data":{"RAW_FILE_NAME":"MS51-33"}
},
{
"Subject ID":"-",
"Sample ID":"MS51-34",
"Factors":{"Cell line":"OSLM1B","Sample type":"conditioned media"},
"Additional sample data":{"RAW_FILE_NAME":"MS51-34"}
},
{
"Subject ID":"-",
"Sample ID":"MS51-35",
"Factors":{"Cell line":"OSLM1B","Sample type":"conditioned media"},
"Additional sample data":{"RAW_FILE_NAME":"MS51-35"}
},
{
"Subject ID":"-",
"Sample ID":"MS51-36",
"Factors":{"Cell line":"RFX631","Sample type":"conditioned media"},
"Additional sample data":{"RAW_FILE_NAME":"MS51-36"}
},
{
"Subject ID":"-",
"Sample ID":"MS51-37",
"Factors":{"Cell line":"RFX631","Sample type":"conditioned media"},
"Additional sample data":{"RAW_FILE_NAME":"MS51-37"}
},
{
"Subject ID":"-",
"Sample ID":"MS51-38",
"Factors":{"Cell line":"RFX631","Sample type":"conditioned media"},
"Additional sample data":{"RAW_FILE_NAME":"MS51-38"}
},
{
"Subject ID":"-",
"Sample ID":"MS51-39",
"Factors":{"Cell line":"RFX631","Sample type":"conditioned media"},
"Additional sample data":{"RAW_FILE_NAME":"MS51-39"}
},
{
"Subject ID":"-",
"Sample ID":"MS51-40",
"Factors":{"Cell line":"RFX631","Sample type":"conditioned media"},
"Additional sample data":{"RAW_FILE_NAME":"MS51-40"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"1.5x105 cells were seeded onto a 6-well plate and cultured in the Plasmax media for 24h. The conditioned medium at 24 hours was analysed for exometabolomics, using media without cells as controls. Quantification of protein content and cell counting was carried using additional plates seeded in parallel.","SAMPLE_TYPE":"Cultured cells"},

"TREATMENT":{"TREATMENT_SUMMARY":"Cells were cultured in the Plasmax media supplemented with 2.5% FBS for 24 hours."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Media samples collected at t=0 and t=24hrs were centrifuged at 4 °C for 10 min. 50 µl of supernatants was further extracted with 350 µl of metabolite extraction solution (50% methanol, 30% acetonitrile, 20% ultrapure water, 5 µM final concentration valine-d8). The solution was then centrifuged at 4 °C for 10 min at max speed and the supernatant collected onto LC-MS vials."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Chromatographic separation of metabolites was achieved using a Millipore Sequant ZIC-pHILIC analytical column (5 µm, 2.1 × 150 mm) equipped with a 2.1 × 20 mm guard column (both 5 mm particle size) with a binary solvent system. Solvent A was 20 mM ammonium carbonate, 0.05% ammonium hydroxide; Solvent B was acetonitrile. The column oven and autosampler tray were held at 40 °C and 4 °C, respectively. The chromatographic gradient was run at a flow rate of 0.200 mL/min as follows: 0–2 min: 80% B; 2-17 min: linear gradient from 80% B to 20% B; 17-17.1 min: linear gradient from 20% B to 80% B; 17.1-23 min: hold at 80% B. Samples were randomized and the injection volume was 5 µl. A pooled quality control (QC) sample was generated from an equal mixture of all individual samples and analysed interspersed at regular intervals.","CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Thermo Dionex Ultimate 3000","COLUMN_NAME":"SeQuant ZIC-pHILIC"},

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

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"UNSPECIFIED","MS_COMMENTS":"Metabolites were measured with a Thermo Scientific Q Exactive Hybrid Quadrupole-Orbitrap Mass spectrometer (HRMS) coupled to a Dionex Ultimate 3000 UHPLC. The mass spectrometer was operated in full-scan, polarity-switching mode, with the spray voltage set to +4.5 kV/-3.5 kV, the heated capillary held at 320 °C, and the auxiliary gas heater held at 280 °C. The sheath gas flow was set to 55 units, the auxiliary gas flow was set to 15 units, and the sweep gas flow was set to 0 unit. HRMS data acquisition was performed in a range of m/z = 70–900, with the resolution set at 70,000, the AGC target at 1 × 106, and the maximum injection time (Max IT) at 120 ms. Metabolite identities were confirmed using two parameters: (1) precursor ion m/z was matched within 5 ppm of theoretical mass predicted by the chemical formula; (2) the retention time of metabolites was within 5% of the retention time of a purified standard run with the same chromatographic method. Chromatogram review and peak area integration were performed using the Thermo Fisher software Tracefinder 5.0 and the peak area for each detected metabolite was normalized against the total ion count (TIC) of that sample to correct any variations introduced from sample handling through instrument analysis. The normalized areas were used as variables for further statistical data analysis."},

"MS_METABOLITE_DATA":{
"Units":"peak area",

"Data":[{"Metabolite":"2-hydroxyglutarate","MS51-01":"59258034.47","MS51-02":"59888512.35","MS51-03":"62571770.01","MS51-04":"84786601.39","MS51-05":"61308116.3","MS51-06":"84950546.99","MS51-07":"60753858.75","MS51-08":"73718362.92","MS51-09":"65933166.4","MS51-10":"68183575.53","MS51-11":"75941661.07","MS51-12":"62100209.84","MS51-13":"58682639.71","MS51-14":"61019604.38","MS51-15":"52571770.9","MS51-16":"76125404.65","MS51-17":"71136029.65","MS51-18":"64936763.53","MS51-19":"59686699.56","MS51-20":"74752976.48","MS51-21":"68238448.81","MS51-23":"80382843.74","MS51-24":"81046932.53","MS51-25":"72724772.79","MS51-26":"66494663.24","MS51-27":"79382747.02","MS51-28":"99831774.68","MS51-29":"83021563.5","MS51-30":"59927205.09","MS51-31":"52213566.97","MS51-32":"73271049.98","MS51-33":"64991162.6","MS51-34":"70419569.64","MS51-35":"72721853.86","MS51-36":"79213649.66","MS51-37":"63960830.02","MS51-38":"54479974.67","MS51-39":"67156630.54","MS51-40":"83122786.31"},{"Metabolite":"2-oxoglutarate","MS51-01":"48968066.13","MS51-02":"46817213.07","MS51-03":"50198995.97","MS51-04":"55225678.59","MS51-05":"53312264.6","MS51-06":"169244158.5","MS51-07":"151064766.8","MS51-08":"171281531.4","MS51-09":"112033043","MS51-10":"170902743.7","MS51-11":"215553005.2","MS51-12":"195308040.4","MS51-13":"195377536.9","MS51-14":"182007804.3","MS51-15":"179344618.6","MS51-16":"219978652.4","MS51-17":"209473799.4","MS51-18":"189803753.4","MS51-19":"197240316.9","MS51-20":"205308841.9","MS51-21":"222159728.9","MS51-23":"243505704.4","MS51-24":"254731697.4","MS51-25":"242486561.2","MS51-26":"127707338.6","MS51-27":"135880374.9","MS51-28":"140199832.6","MS51-29":"126994354.3","MS51-30":"125080684.4","MS51-31":"105135958","MS51-32":"113941684.6","MS51-33":"121799603.2","MS51-34":"112731646","MS51-35":"126428499.5","MS51-36":"157539644.8","MS51-37":"137072106.9","MS51-38":"126161593.3","MS51-39":"134076543.2","MS51-40":"137435583.9"},{"Metabolite":"4-hydroxyphenyllactate","MS51-01":"23076912.98","MS51-02":"22501712.14","MS51-03":"24819930.01","MS51-04":"25719281.91","MS51-05":"24619366.44","MS51-06":"22880346.97","MS51-07":"23738961.85","MS51-08":"26309463.68","MS51-09":"25178558.18","MS51-10":"26704817.7","MS51-11":"22772798.44","MS51-12":"20911344.67","MS51-13":"20725516.33","MS51-14":"21216355.77","MS51-15":"20302877.22","MS51-16":"20072262.51","MS51-17":"20517977.17","MS51-18":"20898755.26","MS51-19":"21843783.83","MS51-20":"21291806.57","MS51-21":"21014372.52","MS51-23":"22359102.2","MS51-24":"24265764.47","MS51-25":"22800102.33","MS51-26":"23733976.94","MS51-27":"26190840.63","MS51-28":"27721799.59","MS51-29":"26254785.28","MS51-30":"25495443.94","MS51-31":"25567132.62","MS51-32":"24680171.11","MS51-33":"27004765.65","MS51-34":"24960304.61","MS51-35":"27706393.55","MS51-36":"22495262.32","MS51-37":"24527384.95","MS51-38":"23496939.63","MS51-39":"23611427.07","MS51-40":"27049136.48"},{"Metabolite":"4-hydroxyphenylpyruvate","MS51-01":"0","MS51-02":"0","MS51-03":"0","MS51-04":"0","MS51-05":"0","MS51-06":"1785590.467","MS51-07":"1571598.69","MS51-08":"1823988.041","MS51-09":"1944009.958","MS51-10":"1866460.406","MS51-11":"902188.6636","MS51-12":"899008.7815","MS51-13":"922086.7865","MS51-14":"926441.4943","MS51-15":"861511.8711","MS51-16":"771926.3252","MS51-17":"912499.3455","MS51-18":"832858.5894","MS51-19":"781458.4282","MS51-20":"759551.403","MS51-21":"1008169.331","MS51-23":"1062451.339","MS51-24":"795544.0422","MS51-25":"934991.4898","MS51-26":"949789.6881","MS51-27":"976873.6494","MS51-28":"947401.3917","MS51-29":"1076874.934","MS51-30":"911544.9937","MS51-31":"869527.1131","MS51-32":"1020515.151","MS51-33":"1084472.357","MS51-34":"1002471.922","MS51-35":"953260.0334","MS51-36":"812391.5929","MS51-37":"772684.7434","MS51-38":"816212.7744","MS51-39":"780568.1711","MS51-40":"674830.5783"},{"Metabolite":"4-hydroxyproline","MS51-01":"1552568381","MS51-02":"1541336653","MS51-03":"1650855227","MS51-04":"1642719104","MS51-05":"1637137516","MS51-06":"1216383577","MS51-07":"1346180997","MS51-08":"1365892376","MS51-09":"1381529085","MS51-10":"1463985782","MS51-11":"1160228639","MS51-12":"1182798017","MS51-13":"1130253598","MS51-14":"1173990129","MS51-15":"1077501458","MS51-16":"1125742749","MS51-17":"1154354641","MS51-18":"1158563573","MS51-19":"1025984987","MS51-20":"1197877380","MS51-21":"1115566560","MS51-23":"1261053790","MS51-24":"1146622671","MS51-25":"1170116118","MS51-26":"1211861110","MS51-27":"1277496401","MS51-28":"1406076879","MS51-29":"1321850478","MS51-30":"1339889355","MS51-31":"1416759489","MS51-32":"1491002792","MS51-33":"1519545541","MS51-34":"1423412467","MS51-35":"1506409310","MS51-36":"1201235412","MS51-37":"1266756766","MS51-38":"1295148435","MS51-39":"1291817456","MS51-40":"1305657282"},{"Metabolite":"aconitate","MS51-01":"12364498.41","MS51-02":"14633131.65","MS51-03":"13984217.22","MS51-04":"29211848.65","MS51-05":"34350199.03","MS51-06":"183079315.7","MS51-07":"51139344.21","MS51-08":"46993297.75","MS51-09":"46378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_ID":"188803 ","CAS":"3106-85-2"},{"Metabolite":"N-acetylglutamate","HMDB_ID":"HMDB0001138","Molecular Formula":"C7H11NO5","KEGG_ID":"C00624","Chemspider_ID":"64077 ","Pubchem _ID":"70914 ","CAS":"1188-37-0"},{"Metabolite":"N-acetylneuraminate","HMDB_ID":"HMDB0000230","Molecular Formula":"C11H19NO9","KEGG_ID":"C00270","Chemspider_ID":"392810 ","Pubchem _ID":"445063 ","CAS":"131-48-6"},{"Metabolite":"ornithine","HMDB_ID":"HMDB0000214","Molecular Formula":"C5H12N2O2","KEGG_ID":"C00077","Chemspider_ID":"6026","Pubchem _ID":"6262","CAS":"3184-13-2"},{"Metabolite":"orotate","HMDB_ID":"HMDB0000226","Molecular Formula":"C5H4N2O4","KEGG_ID":"C00295","Chemspider_ID":"942","Pubchem _ID":"967","CAS":"65-86-1"},{"Metabolite":"pantothenate","HMDB_ID":"HMDB0000210","Molecular Formula":"C9H17NO5","KEGG_ID":"C00864","Chemspider_ID":"6361 ","Pubchem _ID":"6613","CAS":"137-08-6"},{"Metabolite":"phenylalanine","HMDB_ID":"HMDB0000159","Molecular 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Formula":"C3H7NO3","KEGG_ID":"C00065","Chemspider_ID":"5736","Pubchem _ID":"5951","CAS":"56-45-1"},{"Metabolite":"succinate","HMDB_ID":"HMDB0000254","Molecular Formula":"C4H6O4","KEGG_ID":"C00042","Chemspider_ID":"1078 ","Pubchem _ID":"1738118","CAS":"110-15-6"},{"Metabolite":"succinyladenosine","HMDB_ID":"HMDB0000912","Molecular Formula":"C14H17N5O8","KEGG_ID":"NA","Chemspider_ID":"17216022","Pubchem _ID":"20849086 ","CAS":"4542-23-8"},{"Metabolite":"taurine","HMDB_ID":"HMDB0000251","Molecular Formula":"C2H7NO3S","KEGG_ID":"C00245","Chemspider_ID":"1091","Pubchem _ID":"1123","CAS":"107-35-7"},{"Metabolite":"threonine","HMDB_ID":"HMDB0000167","Molecular Formula":"C4H9NO3","KEGG_ID":"C00188","Chemspider_ID":"6051","Pubchem _ID":"6288","CAS":"72-19-5"},{"Metabolite":"tryptophan","HMDB_ID":"HMDB0000929","Molecular Formula":"C11H12N2O2","KEGG_ID":"C00078","Chemspider_ID":"6066","Pubchem _ID":"6305","CAS":"73-22-3"},{"Metabolite":"tyrosine","HMDB_ID":"HMDB0000158","Molecular Formula":"C9H11NO3","KEGG_ID":"C01536","Chemspider_ID":"5833 ","Pubchem _ID":"6057","CAS":"60-18-4"},{"Metabolite":"uric acid","HMDB_ID":"HMDB0000289","Molecular Formula":"C5H4N4O3","KEGG_ID":"C00366","Chemspider_ID":"1142","Pubchem _ID":"1175","CAS":"69-93-2"},{"Metabolite":"valine","HMDB_ID":"HMDB0000883","Molecular Formula":"C5H11NO2","KEGG_ID":"C16436","Chemspider_ID":"6050","Pubchem _ID":"6287","CAS":"72-18-4"},{"Metabolite":"xanthine","HMDB_ID":"HMDB0000292","Molecular Formula":"C5H4N4O2","KEGG_ID":"C00385","Chemspider_ID":"1151","Pubchem _ID":"1188","CAS":"69-89-6"}]
}

}