{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001413","ANALYSIS_ID":"AN002363","VERSION":"1","CREATED_ON":"June 26, 2020, 5:45 pm"},

"PROJECT":{"PROJECT_TITLE":"Metabolic and Transcriptomic Signatures of Prenatal Excessive Methionine in Mice","PROJECT_TYPE":"MS Analysis","PROJECT_SUMMARY":"Micronutrients are key regulators of prenatal one-carbon (C1) metabolism. In this study, we show here that prenatal excessive methionine (MET), a principal micronutrient and methyl-donor, produces in early life stages significant changes in the components of brain C1 pathways and other metabolic pathways including glutamate transmission, mitochondrial function, and lipid metabolism.","INSTITUTE":"University of California, Irvine","DEPARTMENT":"Department of Pharmaceutical Sciences, School of Medicine; Department of Computer Science, School of Information and Computer Sciences","LABORATORY":"Amal Alachkar Group; Pierre Baldi Group","LAST_NAME":"Chen","FIRST_NAME":"Siwei","ADDRESS":"66304 Verano Place Rd. South","EMAIL":"siweic@uci.edu","PHONE":"2066585923"},

"STUDY":{"STUDY_TITLE":"Metabolomic and Transcriptomic Signatures of Prenatal Excessive Methionine in Mice","STUDY_TYPE":"MS Analysis","STUDY_SUMMARY":"Micronutrients are key regulators of prenatal one-carbon (C1) metabolism. We show here that prenatal excessive methionine (MET), a principal micronutrient and methyl-donor, produces in early life stages significant changes in the components of brain C1 pathways and other metabolic pathways including glutamate transmission, mitochondrial function, and lipid metabolism.","INSTITUTE":"University of California, Irvine","DEPARTMENT":"Department of Pharmaceutical Sciences, School of Medicine. Department of Computer Science, School of Information and Computer Sciences","LABORATORY":"Amal Alachkar Group. Pierre Baldi Group","LAST_NAME":"Chen","FIRST_NAME":"Siwei","ADDRESS":"66304 Verano Place Rd. South","EMAIL":"siweic@uci.edu","PHONE":"2066585923","NUM_GROUPS":"4","TOTAL_SUBJECTS":"28","NUM_MALES":"28"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090","AGE_OR_AGE_RANGE":"newborn mice of 24hr old or adult mice of 13 week old","GENDER":"Male","ANIMAL_ANIMAL_SUPPLIER":"Charles River Laboratories (Wilmington, MA)"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"Adult1",
"Factors":{"Condition":"Control","Age":"13 weeks"},
"Additional sample data":{"RAW_FILE_NAME":"Alachkar007_posHILIC_1_001_C.wiff;Alachkar007_posHILIC_1_001_C.wiff.scan"}
},
{
"Subject ID":"-",
"Sample ID":"Adult2",
"Factors":{"Condition":"Control","Age":"13 weeks"},
"Additional sample data":{"RAW_FILE_NAME":"Alachkar001_posHILIC_2_002_C.wiff;Alachkar001_posHILIC_2_002_C.wiff.scan"}
},
{
"Subject ID":"-",
"Sample ID":"Adult3",
"Factors":{"Condition":"Control","Age":"13 weeks"},
"Additional sample data":{"RAW_FILE_NAME":"Alachkar009_posHILIC_3_003_C.wiff;Alachkar009_posHILIC_3_003_C.wiff.scan"}
},
{
"Subject ID":"-",
"Sample ID":"Adult4",
"Factors":{"Condition":"Control","Age":"13 weeks"},
"Additional sample data":{"RAW_FILE_NAME":"Alachkar004_posHILIC_4_004_C.wiff;Alachkar004_posHILIC_4_004_C.wiff.scan"}
},
{
"Subject ID":"-",
"Sample ID":"Adult5",
"Factors":{"Condition":"Control","Age":"13 weeks"},
"Additional sample data":{"RAW_FILE_NAME":"Alachkar011_posHILIC_5_005_C.wiff;Alachkar011_posHILIC_5_005_C.wiff.scan"}
},
{
"Subject ID":"-",
"Sample ID":"Adult6",
"Factors":{"Condition":"Control","Age":"13 weeks"},
"Additional sample data":{"RAW_FILE_NAME":"Alachkar006_posHILIC_6_006_C.wiff;Alachkar006_posHILIC_6_006_C.wiff.scan"}
},
{
"Subject ID":"-",
"Sample ID":"Adult7",
"Factors":{"Condition":"Methionine","Age":"13 weeks"},
"Additional sample data":{"RAW_FILE_NAME":"Alachkar002_posHILIC_7_007_M.wiff;Alachkar002_posHILIC_7_007_M.wiff.scan"}
},
{
"Subject ID":"-",
"Sample ID":"Adult8",
"Factors":{"Condition":"Methionine","Age":"13 weeks"},
"Additional sample data":{"RAW_FILE_NAME":"Alachkar010_posHILIC_8_008_M.wiff;Alachkar010_posHILIC_8_008_M.wiff.scan"}
},
{
"Subject ID":"-",
"Sample ID":"Adult9",
"Factors":{"Condition":"Methionine","Age":"13 weeks"},
"Additional sample data":{"RAW_FILE_NAME":"Alachkar008_posHILIC_9_009_M.wiff;Alachkar008_posHILIC_9_009_M.wiff.scan"}
},
{
"Subject ID":"-",
"Sample ID":"Adult10",
"Factors":{"Condition":"Methionine","Age":"13 weeks"},
"Additional sample data":{"RAW_FILE_NAME":"Alachkar003_posHILIC_10_010_M.wiff;Alachkar003_posHILIC_10_010_M.wiff.scan"}
},
{
"Subject ID":"-",
"Sample ID":"Adult11",
"Factors":{"Condition":"Methionine","Age":"13 weeks"},
"Additional sample data":{"RAW_FILE_NAME":"Alachkar005_posHILIC_11_011_M.wiff;Alachkar005_posHILIC_11_011_M.wiff.scan"}
},
{
"Subject ID":"-",
"Sample ID":"Adult12",
"Factors":{"Condition":"Methionine","Age":"13 weeks"},
"Additional sample data":{"RAW_FILE_NAME":"Alachkar012_posHILIC_12_012_M.wiff;Alachkar012_posHILIC_12_012_M.wiff.scan"}
},
{
"Subject ID":"-",
"Sample ID":"Newborn1",
"Factors":{"Condition":"Control","Age":"24 hour"},
"Additional sample data":{"RAW_FILE_NAME":"Alachkar011_MX412744_posHILIC_1-001.wiff;Alachkar011_MX412744_posHILIC_1-001.wiff.scan"}
},
{
"Subject ID":"-",
"Sample ID":"Newborn2",
"Factors":{"Condition":"Control","Age":"24 hour"},
"Additional sample data":{"RAW_FILE_NAME":"Alachkar014_MX412744_posHILIC_2-002.wiff;Alachkar014_MX412744_posHILIC_2-002.wiff.scan"}
},
{
"Subject ID":"-",
"Sample ID":"Newborn3",
"Factors":{"Condition":"Control","Age":"24 hour"},
"Additional sample data":{"RAW_FILE_NAME":"Alachkar013_MX412744_posHILIC_3-003.wiff;Alachkar013_MX412744_posHILIC_3-003.wiff.scan"}
},
{
"Subject ID":"-",
"Sample ID":"Newborn4",
"Factors":{"Condition":"Control","Age":"24 hour"},
"Additional sample data":{"RAW_FILE_NAME":"Alachkar016_MX412744_posHILIC_4-004.wiff;Alachkar016_MX412744_posHILIC_4-004.wiff.scan"}
},
{
"Subject ID":"-",
"Sample ID":"Newborn5",
"Factors":{"Condition":"Control","Age":"24 hour"},
"Additional sample data":{"RAW_FILE_NAME":"Alachkar012_MX412744_posHILIC_5-005.wiff;Alachkar012_MX412744_posHILIC_5-005.wiff.scan"}
},
{
"Subject ID":"-",
"Sample ID":"Newborn6",
"Factors":{"Condition":"Control","Age":"24 hour"},
"Additional sample data":{"RAW_FILE_NAME":"Alachkar001_MX412744_posHILIC_6-006.wiff;Alachkar001_MX412744_posHILIC_6-006.wiff.scan"}
},
{
"Subject ID":"-",
"Sample ID":"Newborn7",
"Factors":{"Condition":"Control","Age":"24 hour"},
"Additional sample data":{"RAW_FILE_NAME":"Alachkar007_MX412744_posHILIC_7-007.wiff;Alachkar007_MX412744_posHILIC_7-007.wiff.scan"}
},
{
"Subject ID":"-",
"Sample ID":"Newborn8",
"Factors":{"Condition":"Control","Age":"24 hour"},
"Additional sample data":{"RAW_FILE_NAME":"Alachkar009_MX412744_posHILIC_8-008.wiff;Alachkar009_MX412744_posHILIC_8-008.wiff.scan"}
},
{
"Subject ID":"-",
"Sample ID":"Newborn9",
"Factors":{"Condition":"Methionine","Age":"24 hour"},
"Additional sample data":{"RAW_FILE_NAME":"Alachkar003_MX412744_posHILIC_9-009.wiff;Alachkar003_MX412744_posHILIC_9-009.wiff.scan"}
},
{
"Subject ID":"-",
"Sample ID":"Newborn10",
"Factors":{"Condition":"Methionine","Age":"24 hour"},
"Additional sample data":{"RAW_FILE_NAME":"Alachkar008_MX412744_posHILIC_10-010.wiff;Alachkar008_MX412744_posHILIC_10-010.wiff.scan"}
},
{
"Subject ID":"-",
"Sample ID":"Newborn11",
"Factors":{"Condition":"Methionine","Age":"24 hour"},
"Additional sample data":{"RAW_FILE_NAME":"Alachkar005_MX412744_posHILIC_11-011.wiff;Alachkar005_MX412744_posHILIC_11-011.wiff.scan"}
},
{
"Subject ID":"-",
"Sample ID":"Newborn12",
"Factors":{"Condition":"Methionine","Age":"24 hour"},
"Additional sample data":{"RAW_FILE_NAME":"Alachkar006_MX412744_posHILIC_12-012.wiff;Alachkar006_MX412744_posHILIC_12-012.wiff.scan"}
},
{
"Subject ID":"-",
"Sample ID":"Newborn13",
"Factors":{"Condition":"Methionine","Age":"24 hour"},
"Additional sample data":{"RAW_FILE_NAME":"Alachkar015_MX412744_posHILIC_13-013.wiff;Alachkar015_MX412744_posHILIC_13-013.wiff.scan"}
},
{
"Subject ID":"-",
"Sample ID":"Newborn14",
"Factors":{"Condition":"Methionine","Age":"24 hour"},
"Additional sample data":{"RAW_FILE_NAME":"Alachkar004_MX412744_posHILIC_14-014.wiff;Alachkar004_MX412744_posHILIC_14-014.wiff.scan"}
},
{
"Subject ID":"-",
"Sample ID":"Newborn15",
"Factors":{"Condition":"Methionine","Age":"24 hour"},
"Additional sample data":{"RAW_FILE_NAME":"Alachkar010_MX412744_posHILIC_15-015.wiff;Alachkar010_MX412744_posHILIC_15-015.wiff.scan"}
},
{
"Subject ID":"-",
"Sample ID":"Newborn16",
"Factors":{"Condition":"Methionine","Age":"24 hour"},
"Additional sample data":{"RAW_FILE_NAME":"Alachkar002_MX412744_posHILIC_16-016.wiff;Alachkar002_MX412744_posHILIC_16-016.wiff.scan"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Metabolic profiling on whole homogenate brain tissues collected from 24 hours or 13 weeks’ old mice was carried out at the West Coast metabolics center (University of California Davis).","SAMPLE_TYPE":"Brain","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"Swiss Webster mice, 8-9 weeks’ age, were obtained from Charles River Laboratories (Wilmington, MA). One male and two female mice were group-housed and maintained on a 12- hours light/dark cycle (light on at 7:00 am) with food and water available ad libitum. Pregnant mice were individually housed from the thirteen day of pregnancy (gestational day 13) until delivery. Pregnant mice that mated with the same male mouse were subcutaneously administered with L-Methionine (MET) at a dose of 750 mg/kg (Sigma-Aldrich) or saline (SAL) twice a day for seven to eight consecutive days from gestational day 14 until delivery."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Metabolic profiling on whole homogenate brain tissues collected from 24 hours or 13 weeks’ old mice was carried out at the West Coast metabolics center (University of California Davis).","PROCESSING_STORAGE_CONDITIONS":"-80℃","EXTRACT_STORAGE":"-80℃"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"SCIEX 6600TTOF","COLUMN_NAME":"Thermo Accucore HILIC (100 x 2.1mm, 2.6um)"},

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

"MS":{"INSTRUMENT_NAME":"ABI Sciex 6600 TripleTOF","INSTRUMENT_TYPE":"Triple TOF","MS_TYPE":"APCI","ION_MODE":"POSITIVE","MS_COMMENTS":"None"},

"MS_METABOLITE_DATA":{
"Units":"m/z",

"Data":[{"Metabolite":"15N2-L-Arginine iSTD","Newborn1":"18702.0","Newborn2":"22260.0","Newborn3":"14063.0","Newborn4":"18325.0","Newborn5":"12987.0","Newborn6":"16299.0","Newborn7":"18032.0","Newborn8":"16886.0","Newborn9":"16294.0","Newborn10":"16269.0","Newborn11":"17178.0","Newborn12":"18813.0","Newborn13":"21294.0","Newborn14":"17013.0","Newborn15":"16242.0","Newborn16":"18262.0","Adult1":"","Adult2":"","Adult3":"","Adult4":"","Adult5":"","Adult6":"","Adult7":"","Adult8":"","Adult9":"","Adult10":"","Adult11":"","Adult12":""},{"Metabolite":"CUDA iSTD","Newborn1":"198570.0","Newborn2":"181521.0","Newborn3":"191888.0","Newborn4":"197741.0","Newborn5":"187906.0","Newborn6":"159654.0","Newborn7":"185691.0","Newborn8":"191488.0","Newborn9":"191612.0","Newborn10":"192812.0","Newborn11":"202857.0","Newborn12":"201796.0","Newborn13":"196272.0","Newborn14":"193443.0","Newborn15":"198422.0","Newborn16":"190017.0","Adult1":"","Adult2":"","Adult3":"","Adult4":"","Adult5":"","Adult6":"","Adult7":"","Adult8":"","Adult9":"","Adult10":"","Adult11":"","Adult12":""},{"Metabolite":"D3-1-Methylnicotinamide 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iSTD","Newborn1":"26613.0","Newborn2":"29644.0","Newborn3":"22701.0","Newborn4":"22511.0","Newborn5":"23471.0","Newborn6":"28041.0","Newborn7":"20926.0","Newborn8":"22709.0","Newborn9":"24145.0","Newborn10":"23132.0","Newborn11":"18982.0","Newborn12":"29638.0","Newborn13":"23148.0","Newborn14":"21077.0","Newborn15":"22258.0","Newborn16":"24899.0","Adult1":"","Adult2":"","Adult3":"","Adult4":"","Adult5":"","Adult6":"","Adult7":"","Adult8":"","Adult9":"","Adult10":"","Adult11":"","Adult12":""},{"Metabolite":"D3-Creatinine 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iSTD","Newborn1":"1166.0","Newborn2":"1232.0","Newborn3":"1148.0","Newborn4":"989.0","Newborn5":"1150.0","Newborn6":"1317.0","Newborn7":"963.0","Newborn8":"1099.0","Newborn9":"1203.0","Newborn10":"1184.0","Newborn11":"1183.0","Newborn12":"1387.0","Newborn13":"1072.0","Newborn14":"942.0","Newborn15":"938.0","Newborn16":"1239.0","Adult1":"","Adult2":"","Adult3":"","Adult4":"","Adult5":"","Adult6":"","Adult7":"","Adult8":"","Adult9":"","Adult10":"","Adult11":"","Adult12":""},{"Metabolite":"D3-DL-Aspartic acid iSTD","Newborn1":"12602.0","Newborn2":"14095.0","Newborn3":"13120.0","Newborn4":"12071.0","Newborn5":"10468.0","Newborn6":"13245.0","Newborn7":"11893.0","Newborn8":"11398.0","Newborn9":"11414.0","Newborn10":"11593.0","Newborn11":"12021.0","Newborn12":"12727.0","Newborn13":"11932.0","Newborn14":"10768.0","Newborn15":"11008.0","Newborn16":"11631.0","Adult1":"","Adult2":"","Adult3":"","Adult4":"","Adult5":"","Adult6":"","Adult7":"","Adult8":"","Adult9":"","Adult10":"","Adult11":"","Adult12":""},{"Metabolite":"D3-DL-Glutamic acid 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Key":"MTCFGRXMJLQNBG-REOHCLBHSA-N"},{"Metabolite":"Stachydrine","InChI Key":"CMUNUTVVOOHQPW-UHFFFAOYSA-N"},{"Metabolite":"Succinic acid","InChI Key":"KDYFGRWQOYBRFD-UHFFFAOYSA-N"},{"Metabolite":"Sucrose","InChI Key":"CZMRCDWAGMRECN-UGDNZRGBSA-N"},{"Metabolite":"Taurine","InChI Key":"XOAAWQZATWQOTB-UHFFFAOYSA-N"},{"Metabolite":"Thionin","InChI Key":"SHHZUHVSERGLNW-UHFFFAOYSA-O"},{"Metabolite":"Trigonelline","InChI Key":"WWNNZCOKKKDOPX-UHFFFAOYSA-N"},{"Metabolite":"Tryptophan","InChI Key":"QIVBCDIJIAJPQS-VIFPVBQESA-N"},{"Metabolite":"Uridine","InChI Key":"DRTQHJPVMGBUCF-XVFCMESISA-N"},{"Metabolite":"Uridine 5'-monophosphate","InChI Key":"DJJCXFVJDGTHFX-XVFCMESISA-N"},{"Metabolite":"Uridine-5-diphosphoacetylglucosamine","InChI Key":"LFTYTUAZOPRMMI-MPIASZHXSA-N"},{"Metabolite":"Urocanic acid","InChI Key":"LOIYMIARKYCTBW-OWOJBTEDSA-N"},{"Metabolite":"1_15N2-L-Arginine iSTD","InChI Key":""},{"Metabolite":"1_CUDA iSTD","InChI Key":""},{"Metabolite":"1_D3-1-Methylnicotinamide iSTD","InChI Key":""},{"Metabolite":"1_D3-AC(2:0) iSTD","InChI Key":""},{"Metabolite":"1_D3-Creatine iSTD","InChI Key":""},{"Metabolite":"1_D3-Creatinine iSTD","InChI Key":""},{"Metabolite":"1_D3-DL-Alanine iSTD","InChI Key":""},{"Metabolite":"1_D3-DL-Aspartic acid iSTD","InChI Key":""},{"Metabolite":"1_D3-DL-Glutamic acid iSTD","InChI Key":""},{"Metabolite":"1_D3-Histamine, N-methyl- iSTD","InChI Key":""},{"Metabolite":"1_D3-L-Carnitine iSTD","InChI Key":""},{"Metabolite":"1_D5-L-Glutamine iSTD","InChI Key":""},{"Metabolite":"1_D9-Betaine iSTD","InChI Key":""},{"Metabolite":"1_D9-Butyrobetaine iSTD","InChI Key":""},{"Metabolite":"1_D9-Caffeine iSTD","InChI Key":""},{"Metabolite":"1_D9-Choline iSTD","InChI Key":""},{"Metabolite":"1_D9-Crotonobetaine iSTD","InChI Key":""},{"Metabolite":"1_D9-TMAO iSTD","InChI Key":""},{"Metabolite":"1_Val-Tyr-Val iSTD","InChI Key":""},{"Metabolite":"Dopamine","InChI Key":"VYFYYTLLBUKUHU-UHFFFAOYSA-N"},{"Metabolite":"3-Methoxytyramine","InChI Key":"KSRGADMGIRTXAF-UHFFFAOYSA-N"},{"Metabolite":"DL-Norepinephrine","InChI Key":"SFLSHLFXELFNJZ-UHFFFAOYSA-N"},{"Metabolite":"(-)-Epinephrine","InChI Key":"UCTWMZQNUQWSLP-VIFPVBQESA-N"},{"Metabolite":"Histamine","InChI Key":"NTYJJOPFIAHURM-UHFFFAOYSA-N"},{"Metabolite":"N-alpha-methylhistamine","InChI Key":"PHSPJQZRQAJPPF-UHFFFAOYSA-N"},{"Metabolite":"Homocysteine","InChI Key":"FFFHZYDWPBMWHY-VKHMYHEASA-N"},{"Metabolite":"1-Methyladenosine B","InChI Key":"GFYLSDSUCHVORB-IOSLPCCCSA-N"},{"Metabolite":"3-Methylcrotonylglycine","InChI Key":"PFWQSHXPNKRLIV-UHFFFAOYSA-N"},{"Metabolite":"4-Aminomethylcyclohexanecarboxylic acid","InChI Key":"GYDJEQRTZSCIOI-LJGSYFOKSA-N"},{"Metabolite":"Acetylcholine cation","InChI Key":"OIPILFWXSMYKGL-UHFFFAOYSA-N"},{"Metabolite":"Adenosine monophosphate","InChI Key":"LNQVTSROQXJCDD-HMEJCUHCSA-N"},{"Metabolite":"Erythromycin","InChI Key":"ULGZDMOVFRHVEP-RWJQBGPGSA-N"},{"Metabolite":"Erythromycin A enol ether","InChI Key":"JFVYXJKGJMUGRG-KJPZRSJGSA-N"},{"Metabolite":"gamma-Aminobutyric Acid (GABA)","InChI Key":"BTCSSZJGUNDROE-UHFFFAOYSA-N"},{"Metabolite":"Glutathione (reduced)","InChI Key":"RWSXRVCMGQZWBV-WDSKDSINSA-N"},{"Metabolite":"Isovaleryl-L-carnitine","InChI Key":"IGQBPDJNUXPEMT-SNVBAGLBSA-N"},{"Metabolite":"L-Arachidonoylcarnitine","InChI Key":"RBFQHRALHSUPIA-JTPUQHSZSA-N"},{"Metabolite":"Myristoyl-L-carnitine","InChI Key":"PSHXNVGSVNEJBD-LJQANCHMSA-N"},{"Metabolite":"N-(15Z-Tetracosenoyl)-1-.beta.-galactosylsphing-4-enine","InChI Key":"WBOZIXHPUPAOIA-YEWIENRVSA-N"},{"Metabolite":"N-Acetyl-D-lactosamine","InChI Key":"HESSGHHCXGBPAJ-ZBELOFFLSA-N"},{"Metabolite":"N-Acetylhistidine","InChI Key":"KBOJOGQFRVVWBH-ZETCQYMHSA-N"},{"Metabolite":"N-Acetyl-L-aspartic acid","InChI Key":"OTCCIMWXFLJLIA-BYPYZUCNSA-N"},{"Metabolite":"N-Demethylerythromycin","InChI Key":"TXOOBKBDBNRQCF-QNPWSHAKSA-N"},{"Metabolite":"Oleoyl-L-carnitine","InChI Key":"IPOLTUVFXFHAHI-WHIOSMTNSA-N"},{"Metabolite":"Serotonin","InChI Key":"ABJQKDJOYSQVFX-UHFFFAOYSA-N"},{"Metabolite":"Stearoyl-L-carnitine","InChI Key":"FNPHNLNTJNMAEE-HSZRJFAPSA-N"},{"Metabolite":"TMAO","InChI Key":"UYPYRKYUKCHHIB-UHFFFAOYSA-N"},{"Metabolite":"Tributylamine","InChI Key":"IMFACGCPASFAPR-UHFFFAOYSA-N"},{"Metabolite":"Urea","InChI Key":"XSQUKJJJFZCRTK-UHFFFAOYSA-N"},{"Metabolite":"Valine","InChI Key":"KZSNJWFQEVHDMF-BYPYZUCNSA-N"}]
}

}