{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002584","ANALYSIS_ID":"AN004255","VERSION":"1","CREATED_ON":"April 26, 2023, 11:57 am"},

"PROJECT":{"PROJECT_TITLE":"Metabolomics analysis of ALDH1L1-expressing HuH-7 cell line.","PROJECT_SUMMARY":"Quantitative metabolomics study of the effect of the folate metabolizing enzyme ALDH1L1 on the HuH-7 cell line.","INSTITUTE":"Tohoku Medical and Pharmaceutical University","LAST_NAME":"Sasaki","FIRST_NAME":"Masato","ADDRESS":"4-4-1 Komatsushima, Aoba-ku, Sendai, Miyagi, 981-8558, Japan","EMAIL":"msasaki@tohoku-mpu.ac.jp","PHONE":"+81-22-727-0132"},

"STUDY":{"STUDY_TITLE":"Metabolomics analysis of ALDH1L1-expressing HuH7 cell lines.","STUDY_SUMMARY":"One-carbon metabolism is utilized for the de novo synthesis of purines. Given that tumor cells require large amounts of nucleotides, they are highly dependent on one-carbon metabolism. Among the one-carbon-metabolizing enzymes, the aldehyde dehydrogenase 1 family member L1 (ALDH1L1), which catalyzes 10-formyltetrahydrofolate to trahydrofolate, is considered a tumor suppressor gene, as its expression is reported to be attenuated or diminished in hepatocellular carcinoma. To clarify the effect of ALDH1L1 expression, we generated control and ALDH1L1-expressing HuH-7 (H7-1L1) cells, and measured the amounts of intracellular metabolites in both control and ALDH1L1-expressing by CE-TOFMS analysis.","INSTITUTE":"Tohoku Medical and Pharmaceutical University","LAST_NAME":"Sasaki","FIRST_NAME":"Masato","ADDRESS":"4-4-1 Komatsushima, Aoba-ku, Sendai, Miyagi, 981-8558, Japan","EMAIL":"msasaki@tohoku-mpu.ac.jp","PHONE":"+81-22-727-0132"},

"SUBJECT":{"SUBJECT_TYPE":"Cultured cells","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"L1-1",
"Sample ID":"L1-1",
"Factors":{"Transgene":"ALDH1L1"},
"Additional sample data":{"RAW_FILE_NAME":"L1-1"}
},
{
"Subject ID":"L1-2",
"Sample ID":"L1-2",
"Factors":{"Transgene":"ALDH1L1"},
"Additional sample data":{"RAW_FILE_NAME":"L1-2"}
},
{
"Subject ID":"L1-3",
"Sample ID":"L1-3",
"Factors":{"Transgene":"ALDH1L1"},
"Additional sample data":{"RAW_FILE_NAME":"L1-3"}
},
{
"Subject ID":"C-1",
"Sample ID":"C-1",
"Factors":{"Transgene":"empty"},
"Additional sample data":{"RAW_FILE_NAME":"C-1"}
},
{
"Subject ID":"C-2",
"Sample ID":"C-2",
"Factors":{"Transgene":"empty"},
"Additional sample data":{"RAW_FILE_NAME":"C-2"}
},
{
"Subject ID":"C-3",
"Sample ID":"C-3",
"Factors":{"Transgene":"empty"},
"Additional sample data":{"RAW_FILE_NAME":"C-3"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"ALDH1L1-expressing cells or control (empty vector) cells were cultured in DMEM medium containing 5% fetal bovine serum and metabolites were collected during growing phase.","SAMPLE_TYPE":"HuH-7 cells"},

"TREATMENT":{"TREATMENT_SUMMARY":"No treatment in this study."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Cells were washed with 5%(w/w) mannitol solution, and then extracted with methanol. Extracts were filtered through a 5-kDa cut-off filter (Ultrafree-MC-PLHCC, Human Metabolome Technologies) at 9,100 × g for 2 h at 4 °C, dried in a centrifugal evaporator at 1,500 rpm at 1,000 Pa, and resuspended in 50 μl of ultrapure water before metabolome analysis."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"CE-TOFMS (ESI positive)","CHROMATOGRAPHY_TYPE":"CE","INSTRUMENT_NAME":"Agilent CE","COLUMN_NAME":"Agilent Fused silica capillary (80cm x 50um)","SOLVENT_A":"1 M formic acid","SOLVENT_B":"-","FLOW_GRADIENT":"-","FLOW_RATE":"+30 kV","COLUMN_TEMPERATURE":"20"},

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

"MS":{"INSTRUMENT_NAME":"Agilent CE-TOFMS","INSTRUMENT_TYPE":"Other","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"The spectrometer was scanned from m/z 50 to 1,000. Peaks were extracted using automatic integration software MasterHands (ver.2.16.0.15 Keio University). Signal peaks corresponding to isotopomers, adduct ions, and other product ions of known metabolites were excluded, and remaining peaks were annotated with putative metabolites from the HMT metabolite database based on their migration time and m/z values. Peak areas were normalized to internal standards and sample amounts."},

"MS_METABOLITE_DATA":{
"Units":"relative area",

"Data":[{"Metabolite":"Pyruvic acid","L1-1":"9.1E-02","L1-2":"1.2E-01","L1-3":"1.2E-01","C-1":"9.2E-02","C-2":"1.1E-01","C-3":"1.4E-01"},{"Metabolite":"Isobutyric acid / Butyric acid","L1-1":"2.7E-03","L1-2":"1.8E-03","L1-3":"2.0E-03","C-1":"2.1E-03","C-2":"1.8E-03","C-3":"2.0E-03"},{"Metabolite":"Lactic acid","L1-1":"1.9E+00","L1-2":"2.0E+00","L1-3":"2.1E+00","C-1":"1.8E+00","C-2":"2.0E+00","C-3":"2.3E+00"},{"Metabolite":"Isovaleric acid / Valeric acid","L1-1":"4.2E-03","L1-2":"3.0E-03","L1-3":"3.2E-03","C-1":"3.1E-03","C-2":"2.9E-03","C-3":"2.9E-03"},{"Metabolite":"3-Hydroxybutyric acid","L1-1":"7.6E-03","L1-2":"7.8E-03","L1-3":"9.0E-03","C-1":"7.4E-03","C-2":"9.1E-03","C-3":"9.3E-03"},{"Metabolite":"Glyceric acid","L1-1":"3.1E-03","L1-2":"2.9E-03","L1-3":"2.8E-03","C-1":"2.9E-03","C-2":"2.6E-03","C-3":"2.6E-03"},{"Metabolite":"Fumaric acid","L1-1":"1.3E-01","L1-2":"1.4E-01","L1-3":"1.4E-01","C-1":"1.3E-01","C-2":"1.4E-01","C-3":"1.4E-01"},{"Metabolite":"2-Oxoisovaleric acid","L1-1":"5.0E-02","L1-2":"4.8E-02","L1-3":"5.2E-02","C-1":"4.4E-02","C-2":"5.1E-02","C-3":"5.4E-02"},{"Metabolite":"Hexanoic acid","L1-1":"1.3E-03","L1-2":"1.2E-03","L1-3":"1.3E-03","C-1":"1.1E-03","C-2":"1.3E-03","C-3":"1.5E-03"},{"Metabolite":"N-Acetylglycine","L1-1":"7.0E-04","L1-2":"6.4E-04","L1-3":"6.2E-04","C-1":"5.2E-04","C-2":"5.7E-04","C-3":"N.D."},{"Metabolite":"Succinic acid","L1-1":"5.8E-02","L1-2":"5.7E-02","L1-3":"6.4E-02","C-1":"5.6E-02","C-2":"6.2E-02","C-3":"5.6E-02"},{"Metabolite":"2-Hydroxyvaleric acid","L1-1":"4.2E-03","L1-2":"5.3E-03","L1-3":"6.2E-03","C-1":"4.1E-03","C-2":"4.8E-03","C-3":"5.8E-03"},{"Metabolite":"Isethionic acid","L1-1":"N.D.","L1-2":"3.1E-04","L1-3":"N.D.","C-1":"3.9E-04","C-2":"N.D.","C-3":"N.D."},{"Metabolite":"5-Oxoproline","L1-1":"2.1E-01","L1-2":"1.8E-01","L1-3":"1.8E-01","C-1":"2.0E-01","C-2":"1.9E-01","C-3":"1.9E-01"},{"Metabolite":"Citraconic acid","L1-1":"1.4E-03","L1-2":"1.2E-03","L1-3":"1.5E-03","C-1":"1.3E-03","C-2":"1.5E-03","C-3":"1.5E-03"},{"Metabolite":"4-Methyl-2-oxovaleric acid / 3-Methyl-2-oxovaleric acid","L1-1":"2.8E-01","L1-2":"2.8E-01","L1-3":"2.9E-01","C-1":"2.7E-01","C-2":"2.8E-01","C-3":"3.0E-01"},{"Metabolite":"Heptanoic acid","L1-1":"N.D.","L1-2":"2.1E-03","L1-3":"2.4E-03","C-1":"1.7E-03","C-2":"2.0E-03","C-3":"2.6E-03"},{"Metabolite":"N-Acetyl-β-alanine","L1-1":"9.7E-03","L1-2":"1.0E-02","L1-3":"8.9E-03","C-1":"7.5E-03","C-2":"9.2E-03","C-3":"1.0E-02"},{"Metabolite":"Glutaric acid","L1-1":"4.6E-03","L1-2":"5.2E-03","L1-3":"5.1E-03","C-1":"4.7E-03","C-2":"5.2E-03","C-3":"5.0E-03"},{"Metabolite":"Malic acid","L1-1":"1.3E+00","L1-2":"1.3E+00","L1-3":"1.3E+00","C-1":"1.3E+00","C-2":"1.4E+00","C-3":"1.4E+00"},{"Metabolite":"Threonic acid","L1-1":"5.0E-02","L1-2":"5.3E-02","L1-3":"5.4E-02","C-1":"4.7E-02","C-2":"5.2E-02","C-3":"5.2E-02"},{"Metabolite":"Ethanolamine phosphate","L1-1":"6.1E-03","L1-2":"4.7E-03","L1-3":"3.6E-03","C-1":"5.8E-03","C-2":"4.5E-03","C-3":"3.7E-03"},{"Metabolite":"Octanoic acid","L1-1":"1.5E-03","L1-2":"N.D.","L1-3":"2.1E-03","C-1":"1.8E-03","C-2":"1.9E-03","C-3":"2.4E-03"},{"Metabolite":"4-Acetamidobutanoic acid","L1-1":"7.7E-04","L1-2":"9.0E-04","L1-3":"7.8E-04","C-1":"N.D.","C-2":"7.5E-04","C-3":"N.D."},{"Metabolite":"2-Oxoglutaric acid","L1-1":"1.6E-01","L1-2":"2.0E-01","L1-3":"2.1E-01","C-1":"1.6E-01","C-2":"2.1E-01","C-3":"2.2E-01"},{"Metabolite":"2-Hydroxyglutaric acid","L1-1":"3.4E-02","L1-2":"3.8E-02","L1-3":"3.8E-02","C-1":"3.2E-02","C-2":"3.9E-02","C-3":"4.0E-02"},{"Metabolite":"Tartaric acid","L1-1":"N.D.","L1-2":"N.D.","L1-3":"N.D.","C-1":"7.7E-04","C-2":"N.D.","C-3":"N.D."},{"Metabolite":"Cysteinesulfinic acid","L1-1":"1.9E-02","L1-2":"1.8E-02","L1-3":"1.7E-02","C-1":"1.9E-02","C-2":"1.9E-02","C-3":"1.7E-02"},{"Metabolite":"Dihydroorotic acid","L1-1":"1.1E-03","L1-2":"1.5E-03","L1-3":"1.3E-03","C-1":"9.8E-04","C-2":"1.4E-03","C-3":"1.3E-03"},{"Metabolite":"Pelargonic acid","L1-1":"6.1E-03","L1-2":"7.1E-03","L1-3":"9.3E-03","C-1":"5.6E-03","C-2":"6.9E-03","C-3":"8.0E-03"},{"Metabolite":"3-Hydroxy-3-methylglutaric acid","L1-1":"2.0E-02","L1-2":"2.2E-02","L1-3":"2.2E-02","C-1":"1.8E-02","C-2":"1.9E-02","C-3":"2.0E-02"},{"Metabolite":"Terephthalic acid","L1-1":"3.7E-03","L1-2":"3.2E-03","L1-3":"3.6E-03","C-1":"3.2E-03","C-2":"3.9E-03","C-3":"3.7E-03"},{"Metabolite":"Phthalic acid","L1-1":"N.D.","L1-2":"N.D.","L1-3":"N.D.","C-1":"9.0E-04","C-2":"6.9E-04","C-3":"N.D."},{"Metabolite":"Phosphoenolpyruvic acid","L1-1":"1.6E-02","L1-2":"1.4E-02","L1-3":"9.6E-03","C-1":"1.6E-02","C-2":"1.4E-02","C-3":"9.2E-03"},{"Metabolite":"Uric acid","L1-1":"5.5E-04","L1-2":"8.7E-04","L1-3":"4.8E-04","C-1":"7.7E-04","C-2":"5.8E-04","C-3":"5.7E-04"},{"Metabolite":"Cysteic acid","L1-1":"1.4E-03","L1-2":"2.0E-03","L1-3":"2.1E-03","C-1":"1.9E-03","C-2":"1.8E-03","C-3":"1.7E-03"},{"Metabolite":"Dihydroxyacetone phosphate","L1-1":"2.5E-02","L1-2":"3.4E-02","L1-3":"3.1E-02","C-1":"2.3E-02","C-2":"4.9E-02","C-3":"4.7E-02"},{"Metabolite":"Glyceraldehyde 3-phosphate","L1-1":"3.2E-03","L1-2":"1.8E-03","L1-3":"3.5E-03","C-1":"3.0E-03","C-2":"4.3E-03","C-3":"4.7E-03"},{"Metabolite":"Glycerol 2-phosphate","L1-1":"1.4E-03","L1-2":"1.6E-03","L1-3":"1.6E-03","C-1":"1.4E-03","C-2":"1.5E-03","C-3":"1.5E-03"},{"Metabolite":"Glycerol 3-phosphate","L1-1":"5.9E-02","L1-2":"8.6E-02","L1-3":"9.3E-02","C-1":"5.8E-02","C-2":"7.5E-02","C-3":"8.6E-02"},{"Metabolite":"Decanoic acid","L1-1":"2.9E-03","L1-2":"3.6E-03","L1-3":"3.8E-03","C-1":"3.1E-03","C-2":"3.5E-03","C-3":"3.6E-03"},{"Metabolite":"Isovalerylalanine / N-Acetylleucine","L1-1":"3.3E-04","L1-2":"4.6E-04","L1-3":"6.6E-04","C-1":"4.0E-04","C-2":"5.0E-04","C-3":"3.1E-04"},{"Metabolite":"cis-Aconitic acid","L1-1":"3.3E-02","L1-2":"3.3E-02","L1-3":"3.5E-02","C-1":"2.9E-02","C-2":"2.9E-02","C-3":"3.3E-02"},{"Metabolite":"N-Acetylasparagine","L1-1":"3.8E-03","L1-2":"3.1E-03","L1-3":"3.4E-03","C-1":"2.9E-03","C-2":"2.7E-03","C-3":"2.8E-03"},{"Metabolite":"N-Acetylaspartic acid","L1-1":"2.5E-01","L1-2":"2.8E-01","L1-3":"2.8E-01","C-1":"2.8E-01","C-2":"3.2E-01","C-3":"3.1E-01"},{"Metabolite":"N-Carbamoylaspartic acid","L1-1":"2.3E-02","L1-2":"2.0E-02","L1-3":"1.8E-02","C-1":"2.4E-02","C-2":"2.1E-02","C-3":"1.9E-02"},{"Metabolite":"Hippuric acid","L1-1":"1.7E-03","L1-2":"1.6E-03","L1-3":"1.4E-03","C-1":"1.7E-03","C-2":"1.5E-03","C-3":"1.3E-03"},{"Metabolite":"O-Phosphoserine","L1-1":"5.1E-03","L1-2":"2.6E-03","L1-3":"2.0E-03","C-1":"9.1E-03","C-2":"5.8E-03","C-3":"3.3E-03"},{"Metabolite":"2-Phosphoglyceric acid","L1-1":"5.6E-03","L1-2":"5.4E-03","L1-3":"4.1E-03","C-1":"6.7E-03","C-2":"5.5E-03","C-3":"4.2E-03"},{"Metabolite":"3-Phosphoglyceric acid","L1-1":"3.5E-02","L1-2":"3.0E-02","L1-3":"2.3E-02","C-1":"3.6E-02","C-2":"3.3E-02","C-3":"2.1E-02"},{"Metabolite":"Undecanoic acid","L1-1":"N.D.","L1-2":"N.D.","L1-3":"N.D.","C-1":"N.D.","C-2":"N.D.","C-3":"N.D."},{"Metabolite":"N-Acetylglutamine","L1-1":"2.3E-03","L1-2":"2.4E-03","L1-3":"2.4E-03","C-1":"1.9E-03","C-2":"2.4E-03","C-3":"2.2E-03"},{"Metabolite":"Azelaic acid","L1-1":"N.D.","L1-2":"N.D.","L1-3":"N.D.","C-1":"8.8E-04","C-2":"N.D.","C-3":"N.D."},{"Metabolite":"10-Hydroxydecanoic acid","L1-1":"N.D.","L1-2":"N.D.","L1-3":"N.D.","C-1":"N.D.","C-2":"N.D.","C-3":"N.D."},{"Metabolite":"N-Acetylglutamic acid","L1-1":"6.9E-02","L1-2":"7.5E-02","L1-3":"7.6E-02","C-1":"7.3E-02","C-2":"8.4E-02","C-3":"8.2E-02"},{"Metabolite":"Citric acid","L1-1":"5.9E-01","L1-2":"6.1E-01","L1-3":"6.4E-01","C-1":"5.3E-01","C-2":"5.6E-01","C-3":"5.8E-01"},{"Metabolite":"Isocitric acid","L1-1":"1.4E-02","L1-2":"1.1E-02","L1-3":"1.2E-02","C-1":"1.1E-02","C-2":"N.D.","C-3":"1.1E-02"},{"Metabolite":"Quinic acid","L1-1":"2.2E-03","L1-2":"3.6E-03","L1-3":"2.1E-03","C-1":"2.8E-03","C-2":"1.8E-03","C-3":"1.8E-03"},{"Metabolite":"Glucuronic acid/ Galacturonic acid","L1-1":"1.3E-03","L1-2":"1.4E-03","L1-3":"1.3E-03","C-1":"1.2E-03","C-2":"1.5E-03","C-3":"1.8E-03"},{"Metabolite":"Gluconic acid","L1-1":"2.0E-02","L1-2":"1.8E-02","L1-3":"1.8E-02","C-1":"1.7E-02","C-2":"1.6E-02","C-3":"1.7E-02"},{"Metabolite":"Lauric acid","L1-1":"9.3E-03","L1-2":"7.1E-03","L1-3":"9.0E-03","C-1":"2.0E-02","C-2":"8.6E-03","C-3":"7.7E-03"},{"Metabolite":"N2-Acetylaminoadipic acid","L1-1":"3.9E-03","L1-2":"4.3E-03","L1-3":"4.7E-03","C-1":"5.0E-03","C-2":"5.1E-03","C-3":"5.6E-03"},{"Metabolite":"Glucaric acid","L1-1":"N.D.","L1-2":"N.D.","L1-3":"N.D.","C-1":"N.D.","C-2":"N.D.","C-3":"N.D."},{"Metabolite":"Phosphocreatine","L1-1":"8.5E-02","L1-2":"8.7E-02","L1-3":"7.2E-02","C-1":"6.9E-02","C-2":"8.0E-02","C-3":"6.8E-02"},{"Metabolite":"O-Succinylhomoserine","L1-1":"3.9E-03","L1-2":"4.4E-03","L1-3":"4.7E-03","C-1":"3.6E-03","C-2":"5.0E-03","C-3":"4.7E-03"},{"Metabolite":"Pantothenic acid","L1-1":"5.7E-02","L1-2":"5.7E-02","L1-3":"5.3E-02","C-1":"5.3E-02","C-2":"5.5E-02","C-3":"4.9E-02"},{"Metabolite":"Myristoleic acid","L1-1":"7.2E-04","L1-2":"5.7E-04","L1-3":"5.8E-04","C-1":"8.2E-04","C-2":"7.6E-04","C-3":"8.3E-04"},{"Metabolite":"Xylulose 5-phosphate","L1-1":"8.3E-04","L1-2":"7.2E-04","L1-3":"6.9E-04","C-1":"5.2E-04","C-2":"8.4E-04","C-3":"7.5E-04"},{"Metabolite":"Ribose 5-phosphate","L1-1":"9.5E-03","L1-2":"8.1E-03","L1-3":"1.1E-02","C-1":"1.2E-02","C-2":"1.5E-02","C-3":"1.6E-02"},{"Metabolite":"Ribulose 5-phosphate","L1-1":"1.2E-02","L1-2":"1.5E-02","L1-3":"1.5E-02","C-1":"1.3E-02","C-2":"2.0E-02","C-3":"2.0E-02"},{"Metabolite":"2-Deoxyglucose 6-phosphate","L1-1":"3.2E-03","L1-2":"3.4E-03","L1-3":"3.3E-03","C-1":"3.3E-03","C-2":"3.0E-03","C-3":"3.2E-03"},{"Metabolite":"Ascorbate 2-phosphate","L1-1":"8.5E-04","L1-2":"8.7E-04","L1-3":"8.2E-04","C-1":"7.5E-04","C-2":"8.3E-04","C-3":"9.0E-04"},{"Metabolite":"myo-Inositol 1-phosphate / myo-Inositol 3-phosphate","L1-1":"1.4E-02","L1-2":"1.7E-02","L1-3":"1.6E-02","C-1":"1.4E-02","C-2":"1.5E-02","C-3":"1.5E-02"},{"Metabolite":"Glucose 6-phosphate","L1-1":"1.3E-01","L1-2":"2.4E-01","L1-3":"2.4E-01","C-1":"1.2E-01","C-2":"2.3E-01","C-3":"2.6E-01"},{"Metabolite":"Fructose 6-phosphate","L1-1":"3.2E-02","L1-2":"6.2E-02","L1-3":"6.5E-02","C-1":"3.1E-02","C-2":"6.3E-02","C-3":"6.5E-02"},{"Metabolite":"Glucose 1-phosphate","L1-1":"2.9E-02","L1-2":"4.0E-02","L1-3":"3.9E-02","C-1":"2.9E-02","C-2":"4.0E-02","C-3":"4.2E-02"},{"Metabolite":"myo-Inositol 2-phosphate","L1-1":"2.9E-03","L1-2":"2.8E-03","L1-3":"1.7E-03","C-1":"N.D.","C-2":"N.D.","C-3":"1.7E-03"},{"Metabolite":"Sulfotyrosine","L1-1":"N.D.","L1-2":"5.3E-04","L1-3":"N.D.","C-1":"4.7E-04","C-2":"3.3E-04","C-3":"N.D."},{"Metabolite":"2,3-Diphosphoglyceric acid","L1-1":"6.1E-02","L1-2":"7.2E-02","L1-3":"7.2E-02","C-1":"6.1E-02","C-2":"7.5E-02","C-3":"7.2E-02"},{"Metabolite":"6-Phosphogluconic acid","L1-1":"7.9E-03","L1-2":"1.5E-02","L1-3":"1.6E-02","C-1":"8.7E-03","C-2":"1.7E-02","C-3":"1.8E-02"},{"Metabolite":"Rhein","L1-1":"5.9E-03","L1-2":"6.4E-03","L1-3":"6.4E-03","C-1":"6.0E-03","C-2":"6.3E-03","C-3":"6.4E-03"},{"Metabolite":"Sedoheptulose 7-phosphate","L1-1":"1.4E-02","L1-2":"2.0E-02","L1-3":"2.5E-02","C-1":"N.D.","C-2":"1.9E-02","C-3":"2.4E-02"},{"Metabolite":"N-Acetylglucosamine 1-phosphate","L1-1":"2.2E-02","L1-2":"2.8E-02","L1-3":"2.5E-02","C-1":"2.1E-02","C-2":"2.8E-02","C-3":"2.4E-02"},{"Metabolite":"N-Acetylglucosamine 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2'-CMP","L1-1":"1.2E-03","L1-2":"1.2E-03","L1-3":"1.2E-03","C-1":"8.4E-04","C-2":"7.0E-04","C-3":"1.1E-03"},{"Metabolite":"CMP","L1-1":"4.3E-03","L1-2":"4.8E-03","L1-3":"5.4E-03","C-1":"4.4E-03","C-2":"4.6E-03","C-3":"5.1E-03"},{"Metabolite":"UMP","L1-1":"2.4E-02","L1-2":"2.4E-02","L1-3":"2.9E-02","C-1":"2.1E-02","C-2":"2.3E-02","C-3":"2.4E-02"},{"Metabolite":"N-Glycolylneuraminic acid","L1-1":"1.2E-03","L1-2":"1.5E-03","L1-3":"1.3E-03","C-1":"1.1E-03","C-2":"1.2E-03","C-3":"1.5E-03"},{"Metabolite":"cAMP","L1-1":"2.2E-03","L1-2":"1.9E-03","L1-3":"1.7E-03","C-1":"2.5E-03","C-2":"2.3E-03","C-3":"1.7E-03"},{"Metabolite":"Phytic acid_divalent","L1-1":"1.1E-02","L1-2":"1.8E-02","L1-3":"1.9E-02","C-1":"8.5E-03","C-2":"1.8E-02","C-3":"1.9E-02"},{"Metabolite":"dAMP","L1-1":"3.0E-04","L1-2":"4.2E-04","L1-3":"3.4E-04","C-1":"4.1E-04","C-2":"3.4E-04","C-3":"3.5E-04"},{"Metabolite":"5-Aminoimidazole-4-carboxamide ribotide","L1-1":"3.1E-03","L1-2":"5.1E-03","L1-3":"5.4E-03","C-1":"5.0E-04","C-2":"6.8E-04","C-3":"5.7E-04"},{"Metabolite":"Fructose 1,6-diphosphate","L1-1":"6.4E-02","L1-2":"8.3E-02","L1-3":"7.3E-02","C-1":"6.7E-02","C-2":"9.1E-02","C-3":"8.4E-02"},{"Metabolite":"AMP","L1-1":"3.6E-02","L1-2":"4.2E-02","L1-3":"5.2E-02","C-1":"3.9E-02","C-2":"4.3E-02","C-3":"4.9E-02"},{"Metabolite":"IMP","L1-1":"2.3E-03","L1-2":"2.2E-03","L1-3":"1.9E-03","C-1":"2.1E-03","C-2":"2.0E-03","C-3":"1.9E-03"},{"Metabolite":"GMP","L1-1":"6.2E-03","L1-2":"7.3E-03","L1-3":"8.6E-03","C-1":"6.3E-03","C-2":"7.4E-03","C-3":"8.5E-03"},{"Metabolite":"XMP","L1-1":"3.6E-04","L1-2":"3.4E-04","L1-3":"3.0E-04","C-1":"4.3E-04","C-2":"2.7E-04","C-3":"N.D."},{"Metabolite":"NADPH_divalent","L1-1":"2.2E-02","L1-2":"1.5E-02","L1-3":"1.7E-02","C-1":"2.6E-02","C-2":"2.5E-02","C-3":"2.1E-02"},{"Metabolite":"CoA_divalent","L1-1":"2.9E-02","L1-2":"4.2E-02","L1-3":"4.4E-02","C-1":"3.0E-02","C-2":"5.0E-02","C-3":"5.0E-02"},{"Metabolite":"dCDP","L1-1":"6.0E-04","L1-2":"7.7E-04","L1-3":"8.0E-04","C-1":"5.3E-04","C-2":"6.8E-04","C-3":"7.5E-04"},{"Metabolite":"PRPP","L1-1":"1.7E-01","L1-2":"2.1E-01","L1-3":"2.3E-01","C-1":"1.6E-01","C-2":"2.2E-01","C-3":"2.5E-01"},{"Metabolite":"FAD_divalent","L1-1":"6.4E-03","L1-2":"7.3E-03","L1-3":"6.7E-03","C-1":"6.6E-03","C-2":"7.3E-03","C-3":"7.4E-03"},{"Metabolite":"dTDP","L1-1":"1.4E-03","L1-2":"1.6E-03","L1-3":"2.3E-03","C-1":"1.8E-03","C-2":"1.8E-03","C-3":"1.8E-03"},{"Metabolite":"CDP","L1-1":"9.6E-03","L1-2":"1.1E-02","L1-3":"1.3E-02","C-1":"1.2E-02","C-2":"1.1E-02","C-3":"1.3E-02"},{"Metabolite":"UDP","L1-1":"5.2E-02","L1-2":"6.0E-02","L1-3":"7.1E-02","C-1":"6.0E-02","C-2":"5.8E-02","C-3":"6.6E-02"},{"Metabolite":"dADP","L1-1":"1.0E-03","L1-2":"7.5E-04","L1-3":"7.7E-04","C-1":"1.1E-03","C-2":"8.9E-04","C-3":"9.0E-04"},{"Metabolite":"P1, 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acid","L1-1":"7.5E-04","L1-2":"9.5E-04","L1-3":"1.0E-03","C-1":"4.4E-04","C-2":"5.4E-04","C-3":"4.6E-04"},{"Metabolite":"dCTP","L1-1":"1.1E-02","L1-2":"1.1E-02","L1-3":"1.1E-02","C-1":"1.1E-02","C-2":"1.2E-02","C-3":"1.2E-02"},{"Metabolite":"dTTP","L1-1":"2.6E-02","L1-2":"2.7E-02","L1-3":"2.7E-02","C-1":"2.6E-02","C-2":"3.0E-02","C-3":"2.8E-02"},{"Metabolite":"CTP","L1-1":"1.8E-01","L1-2":"2.0E-01","L1-3":"1.8E-01","C-1":"1.8E-01","C-2":"1.9E-01","C-3":"2.0E-01"},{"Metabolite":"UTP","L1-1":"8.3E-01","L1-2":"8.8E-01","L1-3":"8.5E-01","C-1":"7.8E-01","C-2":"8.4E-01","C-3":"8.7E-01"},{"Metabolite":"CDP-choline","L1-1":"8.3E-04","L1-2":"9.9E-04","L1-3":"1.2E-03","C-1":"7.6E-04","C-2":"9.9E-04","C-3":"8.0E-04"},{"Metabolite":"dATP","L1-1":"1.1E-02","L1-2":"1.2E-02","L1-3":"1.1E-02","C-1":"1.1E-02","C-2":"1.2E-02","C-3":"1.2E-02"},{"Metabolite":"ATP","L1-1":"2.5E+00","L1-2":"2.8E+00","L1-3":"2.6E+00","C-1":"2.4E+00","C-2":"2.7E+00","C-3":"2.8E+00"},{"Metabolite":"GTP","L1-1":"4.3E-01","L1-2":"4.7E-01","L1-3":"4.4E-01","C-1":"4.3E-01","C-2":"4.7E-01","C-3":"4.8E-01"},{"Metabolite":"ADP-ribose","L1-1":"6.1E-03","L1-2":"6.5E-03","L1-3":"8.2E-03","C-1":"6.8E-03","C-2":"9.2E-03","C-3":"1.0E-02"},{"Metabolite":"dTDP-glucose","L1-1":"2.3E-03","L1-2":"2.6E-03","L1-3":"2.6E-03","C-1":"2.3E-03","C-2":"2.5E-03","C-3":"2.5E-03"},{"Metabolite":"UDP-glucose / UDP-galactose","L1-1":"4.4E-01","L1-2":"4.7E-01","L1-3":"4.5E-01","C-1":"4.4E-01","C-2":"4.9E-01","C-3":"4.8E-01"},{"Metabolite":"UDP-glucuronic acid","L1-1":"1.6E-01","L1-2":"2.1E-01","L1-3":"1.9E-01","C-1":"1.6E-01","C-2":"2.0E-01","C-3":"2.0E-01"},{"Metabolite":"ADP-glucose / GDP-fucose","L1-1":"1.8E-02","L1-2":"2.5E-02","L1-3":"2.3E-02","C-1":"1.9E-02","C-2":"2.4E-02","C-3":"2.5E-02"},{"Metabolite":"GDP-glucose/GDP-mannose/GDP-galactose","L1-1":"1.2E-02","L1-2":"1.7E-02","L1-3":"1.7E-02","C-1":"1.2E-02","C-2":"1.7E-02","C-3":"1.9E-02"},{"Metabolite":"UDP-N-acetylgalactosamine / UDP-N-acetylglucosamine","L1-1":"5.2E-01","L1-2":"5.9E-01","L1-3":"5.9E-01","C-1":"5.0E-01","C-2":"5.8E-01","C-3":"5.8E-01"},{"Metabolite":"CMP-N-acetylneuraminate","L1-1":"3.6E-02","L1-2":"3.8E-02","L1-3":"3.9E-02","C-1":"3.4E-02","C-2":"3.8E-02","C-3":"3.8E-02"},{"Metabolite":"NAD+","L1-1":"3.0E-01","L1-2":"3.4E-01","L1-3":"3.5E-01","C-1":"3.0E-01","C-2":"3.4E-01","C-3":"3.4E-01"},{"Metabolite":"Deamido-NAD+","L1-1":"1.8E-03","L1-2":"2.0E-03","L1-3":"1.7E-03","C-1":"1.2E-03","C-2":"1.4E-03","C-3":"1.2E-03"},{"Metabolite":"NADH","L1-1":"2.6E-02","L1-2":"2.4E-02","L1-3":"2.2E-02","C-1":"2.3E-02","C-2":"2.3E-02","C-3":"2.4E-02"},{"Metabolite":"3'-Dephospho CoA","L1-1":"4.7E-04","L1-2":"9.5E-04","L1-3":"1.0E-03","C-1":"N.D.","C-2":"8.1E-04","C-3":"1.3E-03"},{"Metabolite":"NADP+","L1-1":"2.0E-02","L1-2":"3.2E-02","L1-3":"2.7E-02","C-1":"1.6E-02","C-2":"2.2E-02","C-3":"2.8E-02"}],

"Metabolites":[{"metabolite_name":"Pyruvic acid"},{"metabolite_name":"Isobutyric acid / Butyric acid"},{"metabolite_name":"Lactic acid"},{"metabolite_name":"Isovaleric acid / Valeric acid"},{"metabolite_name":"3-Hydroxybutyric acid"},{"metabolite_name":"Glyceric acid"},{"metabolite_name":"Fumaric acid"},{"metabolite_name":"2-Oxoisovaleric acid"},{"metabolite_name":"Hexanoic acid"},{"metabolite_name":"N-Acetylglycine"},{"metabolite_name":"Succinic acid"},{"metabolite_name":"2-Hydroxyvaleric acid"},{"metabolite_name":"Isethionic acid"},{"metabolite_name":"5-Oxoproline"},{"metabolite_name":"Citraconic acid"},{"metabolite_name":"4-Methyl-2-oxovaleric acid / 3-Methyl-2-oxovaleric acid"},{"metabolite_name":"Heptanoic acid"},{"metabolite_name":"N-Acetyl-β-alanine"},{"metabolite_name":"Glutaric acid"},{"metabolite_name":"Malic acid"},{"metabolite_name":"Threonic acid"},{"metabolite_name":"Ethanolamine phosphate"},{"metabolite_name":"Octanoic acid"},{"metabolite_name":"4-Acetamidobutanoic acid"},{"metabolite_name":"2-Oxoglutaric acid"},{"metabolite_name":"2-Hydroxyglutaric acid"},{"metabolite_name":"Tartaric acid"},{"metabolite_name":"Cysteinesulfinic acid"},{"metabolite_name":"Dihydroorotic acid"},{"metabolite_name":"Pelargonic acid"},{"metabolite_name":"3-Hydroxy-3-methylglutaric acid"},{"metabolite_name":"Terephthalic acid"},{"metabolite_name":"Phthalic acid"},{"metabolite_name":"Phosphoenolpyruvic acid"},{"metabolite_name":"Uric acid"},{"metabolite_name":"Cysteic acid"},{"metabolite_name":"Dihydroxyacetone phosphate"},{"metabolite_name":"Glyceraldehyde 3-phosphate"},{"metabolite_name":"Glycerol 2-phosphate"},{"metabolite_name":"Glycerol 3-phosphate"},{"metabolite_name":"Decanoic acid"},{"metabolite_name":"Isovalerylalanine / N-Acetylleucine"},{"metabolite_name":"cis-Aconitic acid"},{"metabolite_name":"N-Acetylasparagine"},{"metabolite_name":"N-Acetylaspartic acid"},{"metabolite_name":"N-Carbamoylaspartic acid"},{"metabolite_name":"Hippuric acid"},{"metabolite_name":"O-Phosphoserine"},{"metabolite_name":"2-Phosphoglyceric acid"},{"metabolite_name":"3-Phosphoglyceric acid"},{"metabolite_name":"Undecanoic acid"},{"metabolite_name":"N-Acetylglutamine"},{"metabolite_name":"Azelaic acid"},{"metabolite_name":"10-Hydroxydecanoic acid"},{"metabolite_name":"N-Acetylglutamic acid"},{"metabolite_name":"Citric acid"},{"metabolite_name":"Isocitric acid"},{"metabolite_name":"Quinic acid"},{"metabolite_name":"Glucuronic acid/ Galacturonic acid"},{"metabolite_name":"Gluconic acid"},{"metabolite_name":"Lauric acid"},{"metabolite_name":"N2-Acetylaminoadipic acid"},{"metabolite_name":"Glucaric acid"},{"metabolite_name":"Phosphocreatine"},{"metabolite_name":"O-Succinylhomoserine"},{"metabolite_name":"Pantothenic acid"},{"metabolite_name":"Myristoleic acid"},{"metabolite_name":"Xylulose 5-phosphate"},{"metabolite_name":"Ribose 5-phosphate"},{"metabolite_name":"Ribulose 5-phosphate"},{"metabolite_name":"2-Deoxyglucose 6-phosphate"},{"metabolite_name":"Ascorbate 2-phosphate"},{"metabolite_name":"myo-Inositol 1-phosphate / myo-Inositol 3-phosphate"},{"metabolite_name":"Glucose 6-phosphate"},{"metabolite_name":"Fructose 6-phosphate"},{"metabolite_name":"Glucose 1-phosphate"},{"metabolite_name":"myo-Inositol 2-phosphate"},{"metabolite_name":"Sulfotyrosine"},{"metabolite_name":"2,3-Diphosphoglyceric acid"},{"metabolite_name":"6-Phosphogluconic acid"},{"metabolite_name":"Rhein"},{"metabolite_name":"Sedoheptulose 7-phosphate"},{"metabolite_name":"N-Acetylglucosamine 1-phosphate"},{"metabolite_name":"N-Acetylglucosamine 6-phosphate"},{"metabolite_name":"cCMP / 2',3'-cCMP"},{"metabolite_name":"dUMP"},{"metabolite_name":"N-Acetylneuraminic acid"},{"metabolite_name":"Ribulose 1,5-diphosphate"},{"metabolite_name":"dTMP"},{"metabolite_name":"3'-CMP / 2'-CMP"},{"metabolite_name":"CMP"},{"metabolite_name":"UMP"},{"metabolite_name":"N-Glycolylneuraminic acid"},{"metabolite_name":"cAMP"},{"metabolite_name":"Phytic acid_divalent"},{"metabolite_name":"dAMP"},{"metabolite_name":"5-Aminoimidazole-4-carboxamide ribotide"},{"metabolite_name":"Fructose 1,6-diphosphate"},{"metabolite_name":"AMP"},{"metabolite_name":"IMP"},{"metabolite_name":"GMP"},{"metabolite_name":"XMP"},{"metabolite_name":"NADPH_divalent"},{"metabolite_name":"CoA_divalent"},{"metabolite_name":"dCDP"},{"metabolite_name":"PRPP"},{"metabolite_name":"FAD_divalent"},{"metabolite_name":"dTDP"},{"metabolite_name":"CDP"},{"metabolite_name":"UDP"},{"metabolite_name":"dADP"},{"metabolite_name":"P1, P4-Di(adenosine-5') tetraphosphate_divalent"},{"metabolite_name":"Thiamine diphosphate"},{"metabolite_name":"3-Methylcrotonyl CoA_divalent"},{"metabolite_name":"Malonyl CoA_divalent"},{"metabolite_name":"Adenosine 5'-phosphosulfate"},{"metabolite_name":"ADP"},{"metabolite_name":"3',5'-ADP"},{"metabolite_name":"Succinyl CoA_divalent / Methylmalonyl CoA_divalent"},{"metabolite_name":"GDP"},{"metabolite_name":"HMG CoA_divalent"},{"metabolite_name":"FMN"},{"metabolite_name":"Adenylosuccinic acid"},{"metabolite_name":"dCTP"},{"metabolite_name":"dTTP"},{"metabolite_name":"CTP"},{"metabolite_name":"UTP"},{"metabolite_name":"CDP-choline"},{"metabolite_name":"dATP"},{"metabolite_name":"ATP"},{"metabolite_name":"GTP"},{"metabolite_name":"ADP-ribose"},{"metabolite_name":"dTDP-glucose"},{"metabolite_name":"UDP-glucose / UDP-galactose"},{"metabolite_name":"UDP-glucuronic acid"},{"metabolite_name":"ADP-glucose / GDP-fucose"},{"metabolite_name":"GDP-glucose/GDP-mannose/GDP-galactose"},{"metabolite_name":"UDP-N-acetylgalactosamine / UDP-N-acetylglucosamine"},{"metabolite_name":"CMP-N-acetylneuraminate"},{"metabolite_name":"NAD+"},{"metabolite_name":"Deamido-NAD+"},{"metabolite_name":"NADH"},{"metabolite_name":"3'-Dephospho CoA"},{"metabolite_name":"NADP+"}]
}

}