{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001961","ANALYSIS_ID":"AN003197","VERSION":"1","CREATED_ON":"October 26, 2021, 5:21 pm"},

"PROJECT":{"PROJECT_TITLE":"Metabolomics of brown adipose tissue in murine heart failure model","PROJECT_TYPE":"untargeted CE-TOF/MS metabolomic profiling","PROJECT_SUMMARY":"Brown adipose tissue (BAT) was initially characterised as a thermogenic organ, and recent studies have suggested it plays a crucial role in maintaining systemic metabolic health. In this project, we demonstrated that alteration of BAT function contributes to development of heart failure through disorientation in choline metabolism. To analyze the changes of metabolites, we conducted the CE-TOF/MS analysis using BAT from TAC (thoracic aortic constriction) or sham-operated mice. In BAT from TAC-operated mice, we found increase of choline and glycerophosphorylcholine and a decrease of phosphorylcholine, suggesting that BAT dysfunction induces the disorientation of choline metabolism.","INSTITUTE":"Juntendo University","DEPARTMENT":"Department of Cardiovascular Biology and Medicine","LAST_NAME":"Yoshida","FIRST_NAME":"Yohko","ADDRESS":"2-1-1, Hongo, Bunkyo-ku, Tokyo, Tokyo, 1138421, Japan","EMAIL":"yohko105@yahoo.co.jp","PHONE":"+81-3-3813-3111"},

"STUDY":{"STUDY_TITLE":"Metabolomics of brown adipose tissue in murine heart failure model","STUDY_TYPE":"untargeted CE-TOF/MS metabolomic profiling","STUDY_SUMMARY":"Brown adipose tissue (BAT) was initially characterised as a thermogenic organ, and recent studies have suggested it plays a crucial role in maintaining systemic metabolic health. In this project, we demonstrated that alteration of BAT function contributes to development of heart failure through disorientation in choline metabolism. To analyze the changes of metabolites, we conducted the CE-TOF/MS analysis using BAT from TAC (thoracic aortic constriction) or sham-operated mice. In BAT from TAC-operated mice, we found increase of choline and glycerophosphorylcholine and a decrease of phosphorylcholine, suggesting that BAT dysfunction induces the disorientation of choline metabolism.","INSTITUTE":"Juntendo University","DEPARTMENT":"Department of Cardiovascular Biology and Medicine","LAST_NAME":"Yoshida","FIRST_NAME":"Yohko","ADDRESS":"2-1-1, Hongo, Bunkyo-ku, Tokyo, Tokyo, 1138421, Japan","EMAIL":"yohko105@yahoo.co.jp","PHONE":"+81-3-3813-3111"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090","GENDER":"Male"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"-",
"Factors":{"Group":"-"},
"Additional sample data":{"Organ":"-","RAW_FILE_NAME":"Anion","RAW_FILE_NAME":"Cation"}
},
{
"Subject ID":"-",
"Sample ID":"1B",
"Factors":{"Group":"Sham-operated"},
"Additional sample data":{"Organ":"mouse brown adipose tissue (BAT)","RAW_FILE_NAME":"1 B.d","RAW_FILE_NAME":"B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"2B",
"Factors":{"Group":"Sham-operated"},
"Additional sample data":{"Organ":"mouse brown adipose tissue (BAT)","RAW_FILE_NAME":"2 B.d","RAW_FILE_NAME":"B2.d"}
},
{
"Subject ID":"-",
"Sample ID":"3B",
"Factors":{"Group":"Sham-operated"},
"Additional sample data":{"Organ":"mouse brown adipose tissue (BAT)","RAW_FILE_NAME":"3 B.d","RAW_FILE_NAME":"B3.d"}
},
{
"Subject ID":"-",
"Sample ID":"4B",
"Factors":{"Group":"Sham-operated"},
"Additional sample data":{"Organ":"mouse brown adipose tissue (BAT)","RAW_FILE_NAME":"4 B.d","RAW_FILE_NAME":"B4.d"}
},
{
"Subject ID":"-",
"Sample ID":"6B",
"Factors":{"Group":"Sham-operated"},
"Additional sample data":{"Organ":"mouse brown adipose tissue (BAT)","RAW_FILE_NAME":"6 B.d","RAW_FILE_NAME":"B6.d"}
},
{
"Subject ID":"-",
"Sample ID":"7B",
"Factors":{"Group":"TAC-operated"},
"Additional sample data":{"Organ":"mouse brown adipose tissue (BAT)","RAW_FILE_NAME":"7 B.d","RAW_FILE_NAME":"B7.d"}
},
{
"Subject ID":"-",
"Sample ID":"9B",
"Factors":{"Group":"TAC-operated"},
"Additional sample data":{"Organ":"mouse brown adipose tissue (BAT)","RAW_FILE_NAME":"9 B.d","RAW_FILE_NAME":"B9.d"}
},
{
"Subject ID":"-",
"Sample ID":"10B",
"Factors":{"Group":"TAC-operated"},
"Additional sample data":{"Organ":"mouse brown adipose tissue (BAT)","RAW_FILE_NAME":"10 B.d","RAW_FILE_NAME":"B10.d"}
},
{
"Subject ID":"-",
"Sample ID":"11B",
"Factors":{"Group":"TAC-operated"},
"Additional sample data":{"Organ":"mouse brown adipose tissue (BAT)","RAW_FILE_NAME":"11 B.d","RAW_FILE_NAME":"B11.d"}
},
{
"Subject ID":"-",
"Sample ID":"12B",
"Factors":{"Group":"TAC-operated"},
"Additional sample data":{"Organ":"mouse brown adipose tissue (BAT)","RAW_FILE_NAME":"12 B.d","RAW_FILE_NAME":"B12.d"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Brown adipose tissue (BAT) was excised from the mice and immediately frozen in liquid nitrogen.","SAMPLE_TYPE":"Adipose tissue"},

"TREATMENT":{"TREATMENT_SUMMARY":"All mice were randomly allocated for surgical procedures under blinded condition. Thoracic aortic constriction (TAC) was performed in 11-week-old male mice, and sample was collected 2 weeks after surgery. Sham-operated mice underwent the same procedures, except for aortic constriction."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"To extract metabolites, 40~50mg snap-frozen samples were completely homogenized by Shake Master NEO (Bio Medical Science) in 500uL of methanol containing L-methionine sulfone (Wako 502-76641), methionine sulfone (MES, Dojindo 349-01623), and D-camphor-10-sulfonic acid sodium salt (CSA, Wako 037-01032) (all at 20 μM). After adding CHCl3 (500 μl) and distilled water (200 μl) with thorough mixing, centrifugation was performed at 4,600g for 15 min at 4°C. Then the aqueous layer (300 μl) was collected and transferred to a 5-kDa cutoff filter (UltrafreeMC-PLHCC; Human Metabolome Technologies, UFC3LCCNB-HMT). Centrifugation was performed at 9,100g for 3 hours at 20°C, after which the filtrate was centrifugally concentrated and dissolved in 50μl distilled water containing reference compounds (200 μM each of 3-aminopyrrolidine and trimesate)."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"None (Direct infusion)","INSTRUMENT_NAME":"none","COLUMN_NAME":"none"},

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

"MS":{"INSTRUMENT_NAME":"Agilent 6224 TOF","INSTRUMENT_TYPE":"Single quadrupole","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"Automatic recalibration of each acquired spectrum was performed using reference masses of reference standards ([2MeOH13Cisotope]-, m/z 66.06306), and ([Hexakis(2,2-difluoroethoxy)phosphazene]-, m/z 622.028963). Exact mass data were acquired at the rate of 1.5 cycles/s over a 50 to 1,000 m/z range. Raw CE-TOFMS data were processed using Master Hands ver. 2.17.0.8 software for the quantification of metabolites."},

"MS_METABOLITE_DATA":{
"Units":"nmol/g",

"Data":[{"Metabolite":"Urea","1B":"3983","2B":"3592","3B":"2759","4B":"2924","6B":"3254","7B":"3813","9B":"3667","10B":"2823","11B":"2824","12B":"3071"},{"Metabolite":"Pyrazole","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"3-Aminopropionitrile","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Methylguanidine","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Isobutylamine","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"1,3-Diaminopropane","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Gly","1B":"1015","2B":"692","3B":"521","4B":"571","6B":"593","7B":"484","9B":"569","10B":"497","11B":"591","12B":"531"},{"Metabolite":"Trimethylamine 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"Metabolites":[{"Metabolite":"Urea","RefMet name":"Urea","KEGG ID":"C00086"},{"Metabolite":"Pyrazole","RefMet name":"1H-pyrazole","KEGG ID":"C00481"},{"Metabolite":"3-Aminopropionitrile","RefMet name":"-","KEGG ID":"C05670"},{"Metabolite":"Methylguanidine","RefMet name":"Methylguanidine","KEGG ID":"C02294"},{"Metabolite":"Isobutylamine","RefMet name":"-","KEGG ID":"C02787"},{"Metabolite":"1,3-Diaminopropane","RefMet name":"1,3-Diaminopropane","KEGG ID":"C00986"},{"Metabolite":"Gly","RefMet name":"Glycine","KEGG ID":"C00037"},{"Metabolite":"Trimethylamine N-oxide","RefMet name":"Trimethylamine N-oxide","KEGG ID":"C01104"},{"Metabolite":"Isopropanolamine","RefMet name":"Isopropanolamine","KEGG ID":"C05771"},{"Metabolite":"Hydroxyurea","RefMet name":"Hydroxyurea","KEGG ID":"C07044"},{"Metabolite":"Trimethylsulfonium","RefMet name":"Trimethyl sulfonium","KEGG ID":"C01008"},{"Metabolite":"Cysteamine","RefMet name":"Cysteamine","KEGG ID":"C01678"},{"Metabolite":"Isoamylamine","RefMet 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ID":"C06772"},{"Metabolite":"N-Methylaniline","RefMet name":"N-Methylaniline","KEGG ID":"C02299"},{"Metabolite":"Hypotaurine","RefMet name":"Hypotaurine","KEGG ID":"C00519"},{"Metabolite":"2-Aminophenol","RefMet name":"2-Aminophenol","KEGG ID":"C01987"},{"Metabolite":"Cytosine","RefMet name":"Cytosine","KEGG ID":"C00380"},{"Metabolite":"Histamine","RefMet name":"Histamine","KEGG ID":"C00388"},{"Metabolite":"Uracil","RefMet name":"Uracil","KEGG ID":"C00106"},{"Metabolite":"Carnosine","RefMet name":"Carnosine","KEGG ID":"C00386"},{"Metabolite":"Creatinine","RefMet name":"Creatinine","KEGG ID":"C00791"},{"Metabolite":"Muscimol","RefMet name":"-","KEGG ID":"C08311"},{"Metabolite":"beta-Cyanoalanine","RefMet name":"Cyanoalanine","KEGG ID":"C02512"},{"Metabolite":"Dihydrouracil","RefMet name":"Dihydrouracil","KEGG ID":"C00429"},{"Metabolite":"Pro","RefMet name":"Proline","KEGG ID":"C00148"},{"Metabolite":"Guanidinoacetate","RefMet name":"Guanidoacetic acid","KEGG ID":"C00581"},{"Metabolite":"5-Aminovalerate","RefMet name":"5-Aminopentanoic acid","KEGG ID":"C00431"},{"Metabolite":"Val","RefMet name":"Valine","KEGG ID":"C00183"},{"Metabolite":"Betaine","RefMet name":"Betaine","KEGG ID":"C00719"},{"Metabolite":"Benzimidazole","RefMet name":"1H-Benzimidazole","KEGG ID":"C02009"},{"Metabolite":"2,4-Diaminobutyrate","RefMet name":"2,4-Diaminobutyric acid","KEGG ID":"C03283"},{"Metabolite":"4-Amino-3-hydroxybutyrate","RefMet name":"-","KEGG ID":"C03678"},{"Metabolite":"Homoserine","RefMet name":"Homoserine","KEGG ID":"C00263"},{"Metabolite":"Alpha-Methylserine","RefMet name":"Alpha-Methylserine","KEGG ID":"C02115"},{"Metabolite":"Thr","RefMet name":"Threonine","KEGG ID":"C00188"},{"Metabolite":"Purine","RefMet name":"Purine","KEGG ID":"C15587"},{"Metabolite":"Benzamidine","RefMet name":"Benzamidine","KEGG ID":"C01784"},{"Metabolite":"Cys","RefMet name":"Cysteine-S-sulfate","KEGG ID":"C00097"},{"Metabolite":"Benzamide","RefMet name":"Benzamide","KEGG ID":"C09815"},{"Metabolite":"Phenethylamine","RefMet name":"Phenylethylamine","KEGG ID":"C05332"},{"Metabolite":"alpha-Methylbenzylamine","RefMet name":"-","KEGG ID":"C02455"},{"Metabolite":"2,4-Dimethylaniline","RefMet name":"2,4-Dimethylaniline","KEGG ID":"C11003"},{"Metabolite":"Isonicotinamide","RefMet name":"-","KEGG ID":"C02421"},{"Metabolite":"Nicotinamide","RefMet name":"Niacinamide","KEGG ID":"C00153"},{"Metabolite":"Picolinamide","RefMet name":"Picolinamide","KEGG ID":"C01950"},{"Metabolite":"3-Chloroalanine","RefMet name":"-","KEGG ID":"C02635"},{"Metabolite":"Taurine","RefMet name":"Taurine","KEGG ID":"C00245"},{"Metabolite":"5-Methylcytosine","RefMet name":"5-Methylcytosine","KEGG ID":"C02376"},{"Metabolite":"1-Methylhistamine","RefMet name":"1-Methylhistamine","KEGG ID":"C05127"},{"Metabolite":"Imidazole-4-acetate","RefMet name":"Imidazoleacetic acid","KEGG ID":"C02835"},{"Metabolite":"Thymine","RefMet name":"Thymine","KEGG ID":"C00178"},{"Metabolite":"Melamine","RefMet name":"Melamine","KEGG ID":"C08737"},{"Metabolite":"1-Amino-1-cyclopentanecarboxylate","RefMet name":"-","KEGG ID":"C03969"},{"Metabolite":"Pipecolate","RefMet name":"Pipecolic acid","KEGG ID":"C00408"},{"Metabolite":"Metformin","RefMet name":"Metformin","KEGG ID":"C07151"},{"Metabolite":"Octylamine","RefMet name":"Octylamine","KEGG ID":"C01740"},{"Metabolite":"N-Acetylputrescine","RefMet name":"N-Acetylputrescine","KEGG ID":"C02714"},{"Metabolite":"Agmatine","RefMet name":"Agmatine","KEGG ID":"C00179"},{"Metabolite":"5-Aminolevulinate","RefMet name":"5-Amino-levulinic acid","KEGG ID":"C00430"},{"Metabolite":"Hydroxyproline","RefMet name":"Hydroxyproline","KEGG ID":"C01015"},{"Metabolite":"Creatine","RefMet name":"Creatine","KEGG ID":"C00300"},{"Metabolite":"6-Aminohexanoate","RefMet name":"Aminocaproic acid","KEGG ID":"C02378"},{"Metabolite":"beta-Leucine","RefMet name":"beta-Leucine","KEGG ID":"C02486"},{"Metabolite":"Ile","RefMet name":"Isoleucine","KEGG ID":"C00407"},{"Metabolite":"Leu","RefMet name":"Leucine","KEGG ID":"C00123"},{"Metabolite":"Bis(3-aminopropyl)amine","RefMet name":"Norspermidine","KEGG ID":"C03375"},{"Metabolite":"Gly-Gly","RefMet name":"Gly-Gly","KEGG ID":"C02037"},{"Metabolite":"Asn","RefMet name":"Asparagine","KEGG ID":"C00152"},{"Metabolite":"Ornithine","RefMet name":"Ornithine","KEGG ID":"C00077"},{"Metabolite":"Asp","RefMet name":"Aspartic acid","KEGG ID":"C00049"},{"Metabolite":"2-Aminobenzimidazole","RefMet name":"-","KEGG ID":"C10901"},{"Metabolite":"Homocysteine","RefMet name":"Homocysteine","KEGG ID":"C00155"},{"Metabolite":"Adenine","RefMet name":"Adenine","KEGG ID":"C00147"},{"Metabolite":"Hypoxanthine","RefMet name":"Hypoxanthine","KEGG ID":"C00262"},{"Metabolite":"1-Methylnicotinamide","RefMet name":"1-Methyl nicotinamide","KEGG ID":"C02918"},{"Metabolite":"p-Aminobenzoate","RefMet name":"P-Aminobenzoic acid","KEGG ID":"C00568"},{"Metabolite":"Trigonelline","RefMet name":"Trigonelline","KEGG ID":"C01004"},{"Metabolite":"Anthranilate","RefMet name":"2-Aminobenzoic acid","KEGG ID":"C00108"},{"Metabolite":"Phenylethanolamine","RefMet name":"2-Hydroxyphenethylamine","KEGG ID":"C02735"},{"Metabolite":"Tyramine","RefMet name":"Tyramine","KEGG ID":"C00483"},{"Metabolite":"Urocanate","RefMet name":"Urocanic acid","KEGG ID":"C00785"},{"Metabolite":"6-Hydroxynicotinate","RefMet name":"6-Hydroxynicotinic acid","KEGG ID":"C01020"},{"Metabolite":"Tropinone","RefMet name":"Tropinone","KEGG ID":"C00783"},{"Metabolite":"Histidinol","RefMet name":"L-Histidinol","KEGG ID":"C00860"},{"Metabolite":"Tropine","RefMet name":"-","KEGG ID":"C00729"},{"Metabolite":"Ectoine","RefMet name":"Ectoine","KEGG ID":"C06231"},{"Metabolite":"4-Methyl-5-thiazoleethanol","RefMet name":"-","KEGG ID":"C04294"},{"Metabolite":"Proline betaine","RefMet name":"Proline betaine","KEGG ID":"C10172"},{"Metabolite":"N1,N12-Diacetylspermine","RefMet name":"N1,N12-Diacetylspermine","KEGG ID":"C03413"},{"Metabolite":"gamma-Guanidinobutyrate","RefMet name":"4-Guanidinobutanoic acid","KEGG ID":"C01035"},{"Metabolite":"Acetylcholine","RefMet name":"Acetylcholine","KEGG ID":"C01996"},{"Metabolite":"gamma-Butyrobetaine","RefMet name":"3-Dehydroxycarnitine","KEGG ID":"C01181"},{"Metabolite":"Lysinamide","RefMet name":"Lysinamide","KEGG ID":"C01930"},{"Metabolite":"Spermidine","RefMet name":"Spermidine","KEGG ID":"C00315"},{"Metabolite":"Gln","RefMet name":"Glutamine","KEGG ID":"C00064"},{"Metabolite":"5,6-Dimethylbenzimidazole","RefMet name":"Dimethylbenzimidazole","KEGG ID":"C03114"},{"Metabolite":"Lys","RefMet name":"Lysine","KEGG ID":"C00047"},{"Metabolite":"Trientine","RefMet name":"-","KEGG ID":"C07166"},{"Metabolite":"Glu","RefMet name":"Glutamic acid","KEGG ID":"C00025"},{"Metabolite":"O-Acetylserine","RefMet name":"O-Acetylserine","KEGG ID":"C00979"},{"Metabolite":"Nornicotine","RefMet name":"Nornicotine","KEGG ID":"C06524"},{"Metabolite":"Met","RefMet name":"Methionine","KEGG ID":"C00073"},{"Metabolite":"3-Methyladenine","RefMet name":"3-Methyladenine","KEGG ID":"C00913"},{"Metabolite":"6-Methylaminopurine","RefMet name":"-","KEGG ID":"C08434"},{"Metabolite":"Guanine","RefMet name":"Guanine","KEGG ID":"C00242"},{"Metabolite":"Amantadine","RefMet name":"-","KEGG ID":"C06818"},{"Metabolite":"Xanthine","RefMet name":"Xanthine","KEGG ID":"C00385"},{"Metabolite":"3-Hydroxyanthranilate","RefMet name":"3-Hydroxyanthranilic acid","KEGG ID":"C00632"},{"Metabolite":"4-Aminosalicylate","RefMet name":"-","KEGG ID":"C02518"},{"Metabolite":"Dopamine","RefMet name":"Dopamine","KEGG ID":"C03758"},{"Metabolite":"4-(beta-Acetylaminoethyl)imidazole","RefMet name":"N-Acetylhistamine","KEGG ID":"C05135"},{"Metabolite":"Pseudopelletierine","RefMet name":"psi-Pelletierine","KEGG ID":"C10865"},{"Metabolite":"His","RefMet name":"Histidine","KEGG ID":"C00135"},{"Metabolite":"beta-Imidazolelactate","RefMet name":"Imidazolelactic acid","KEGG ID":"C05568"},{"Metabolite":"Ibotenate","RefMet name":"-","KEGG ID":"C10600"},{"Metabolite":"Allantoin","RefMet name":"Allantoin","KEGG ID":"C01551"},{"Metabolite":"Indole-3-acetaldehyde","RefMet name":"Indoleacetaldehyde","KEGG ID":"C00637"},{"Metabolite":"Betonicine","RefMet name":"Betonicine","KEGG ID":"C08269"},{"Metabolite":"N-Acetylvaline","RefMet name":"N-Acetylvaline","KEGG ID":"-"},{"Metabolite":"Ala-Ala","RefMet name":"Ala-Ala","KEGG ID":"C00993"},{"Metabolite":"Tryptamine","RefMet name":"Tryptamine","KEGG ID":"C00398"},{"Metabolite":"alpha-Aminoadipate","RefMet name":"-","KEGG ID":"C00956"},{"Metabolite":"N-Methylglutamate","RefMet name":"N-Methyl-glutamic acid","KEGG ID":"C01046"},{"Metabolite":"Indole-3-ethanol","RefMet name":"Tryptophanol","KEGG ID":"C00955"},{"Metabolite":"Carnitine","RefMet name":"Carnitine","KEGG ID":"C00318"},{"Metabolite":"2-Deoxystreptamine","RefMet name":"-","KEGG ID":"C02627"},{"Metabolite":"5-Hydroxylysine","RefMet name":"5-Hydroxylysine","KEGG ID":"C16741"},{"Metabolite":"Nicotine","RefMet name":"(R)-Nicotine","KEGG ID":"C00745"},{"Metabolite":"Pterin","RefMet name":"Pterin","KEGG ID":"C00715"},{"Metabolite":"S-Methylmethionine","RefMet name":"-","KEGG ID":"C03172"},{"Metabolite":"Methionine sulfoxide","RefMet name":"Methionine sulfoxide","KEGG ID":"C02989"},{"Metabolite":"7-Methylguanine","RefMet name":"7-Methylguanine","KEGG ID":"C02242"},{"Metabolite":"3-Methylguanine","RefMet name":"3-Methylguanine","KEGG ID":"C02230"},{"Metabolite":"Phe","RefMet name":"Phenylalanine","KEGG ID":"C00079"},{"Metabolite":"Taurocyamine","RefMet name":"Taurocyamine","KEGG ID":"C01959"},{"Metabolite":"Pyridoxal","RefMet name":"Pyridoxal","KEGG ID":"C00250"},{"Metabolite":"3-Methoxytyramine","RefMet name":"3-Methoxytyramine","KEGG ID":"C05587"},{"Metabolite":"Synephrine","RefMet name":"Synephrine","KEGG ID":"C04548"},{"Metabolite":"Pyridoxamine","RefMet name":"Pyridoxamine","KEGG ID":"C00534"},{"Metabolite":"Pyridoxine","RefMet name":"Pyridoxine","KEGG ID":"C00314"},{"Metabolite":"Noradrenaline","RefMet name":"Xi-Norepinephrine","KEGG ID":"C00547"},{"Metabolite":"3-Methylhistidine","RefMet name":"3-Methylhistidine","KEGG ID":"C01152"},{"Metabolite":"Diphenylamine","RefMet name":"Diphenylamine","KEGG ID":"C11016"},{"Metabolite":"Indole-3-acetamide","RefMet name":"1H-Indole-3-acetamide","KEGG ID":"C02693"},{"Metabolite":"N-Acetylornithine","RefMet name":"N-Acetylornithine","KEGG ID":"C00437"},{"Metabolite":"N-gamma-Ethylglutamine","RefMet name":"-","KEGG ID":"C01047"},{"Metabolite":"Arg","RefMet name":"Arginine","KEGG ID":"C00062"},{"Metabolite":"Gramine","RefMet name":"-","KEGG ID":"C08304"},{"Metabolite":"N-omega-Methyltryptamine","RefMet name":"N-Methyltryptamine","KEGG ID":"C06213"},{"Metabolite":"Guanidinosuccinate","RefMet name":"Guanidinosuccinic acid","KEGG ID":"C03139"},{"Metabolite":"Indole-3-acetate","RefMet name":"Indoleacetic acid","KEGG ID":"C00954"},{"Metabolite":"2-Guanidinobenzimidazole","RefMet name":"-","KEGG ID":"C10898"},{"Metabolite":"Citrulline","RefMet name":"Citrulline","KEGG ID":"C00327"},{"Metabolite":"Canavanine","RefMet name":"Canavanine","KEGG ID":"C00308"},{"Metabolite":"Serotonin","RefMet name":"Serotonin","KEGG ID":"C00780"},{"Metabolite":"Alliin","RefMet name":"Alliin","KEGG ID":"C08265"},{"Metabolite":"Cys-Gly","RefMet name":"Cys-Gly","KEGG ID":"C01419"},{"Metabolite":"Xanthopterin","RefMet name":"Xanthopterin","KEGG ID":"-"},{"Metabolite":"Mannosamine","RefMet name":"2-Amino-2-deoxy-D-mannose","KEGG ID":"C03570"},{"Metabolite":"Glucosamine","RefMet name":"Glucosamine","KEGG ID":"C00329"},{"Metabolite":"n-Butyl a-Picolinate","RefMet name":"-","KEGG ID":"-"},{"Metabolite":"Methionine sulfoximine","RefMet name":"Methionine sulfoximine","KEGG ID":"C03510"},{"Metabolite":"Tyr","RefMet name":"Tyrosine","KEGG ID":"C00082"},{"Metabolite":"Harman","RefMet name":"Harman","KEGG ID":"C09209"},{"Metabolite":"Phosphorylcholine","RefMet name":"Choline phosphate","KEGG ID":"C00588"},{"Metabolite":"Epinephrine","RefMet name":"Epinephrine","KEGG ID":"C00788"},{"Metabolite":"N-alpha,N-alpha-Dimethylhistidine","RefMet name":"N,N-Dimethylhistidine","KEGG ID":"C04259"},{"Metabolite":"N1-Acetylspermidine","RefMet name":"N1-Acetylspermidine","KEGG ID":"C00612"},{"Metabolite":"N8-Acetylspermidine","RefMet name":"N8-Acetylspermidine","KEGG ID":"C01029"},{"Metabolite":"Gly-Leu","RefMet name":"Gly-Leu","KEGG ID":"C02155"},{"Metabolite":"N-epsilon-Acetyllysine","RefMet name":"N6-Acetyllysine","KEGG ID":"C02727"},{"Metabolite":"N6,N6,N6-Trimethyllysine","RefMet name":"N-6-Trimethyllysine","KEGG ID":"C03793"},{"Metabolite":"Castanospermine","RefMet name":"Castanospermine","KEGG ID":"C02256"},{"Metabolite":"5-Methoxytryptamine","RefMet name":"5-Methoxytryptamine","KEGG ID":"C05659"},{"Metabolite":"5-Hydroxyindoleacetate","RefMet name":"5-Hydroxyindoleacetic acid","KEGG ID":"C05635"},{"Metabolite":"SAH","RefMet name":"S-Adenosylhomocysteine","KEGG ID":"C00021"},{"Metabolite":"Glucosaminate","RefMet name":"Glucosaminic acid","KEGG ID":"C03752"},{"Metabolite":"Tyrosine methyl ester","RefMet name":"-","KEGG ID":"C03404"},{"Metabolite":"DOPA","RefMet name":"DOPA","KEGG ID":"C00355"},{"Metabolite":"N-Acetylhistidine","RefMet name":"N-Acetylhistidine","KEGG ID":"C02997"},{"Metabolite":"SAM+","RefMet name":"S-Adenosylmethionine","KEGG ID":"C00019"},{"Metabolite":"Arginine ethyl ester","RefMet name":"-","KEGG ID":"C01404"},{"Metabolite":"ADMA","RefMet name":"Dimethylarginine","KEGG ID":"C03626"},{"Metabolite":"SDMA","RefMet name":"Symmetric dimethyl-arginine","KEGG ID":"-"},{"Metabolite":"o-Acetylcarnitine","RefMet name":"CAR 2:0","KEGG ID":"C02571"},{"Metabolite":"Trp","RefMet name":"Tryptophan","KEGG ID":"C00078"},{"Metabolite":"5-Methoxyindoleacetate","RefMet name":"5-Methoxyindoleacetic acid","KEGG ID":"C05660"},{"Metabolite":"Kynurenine","RefMet name":"Kynurenine","KEGG ID":"C00328"},{"Metabolite":"Cysteine-glutathione disulphide -Divalent","RefMet name":"-","KEGG ID":"-"},{"Metabolite":"Desthiobiotin","RefMet name":"-","KEGG ID":"C01909"},{"Metabolite":"beta-Ala-Lys","RefMet name":"-","KEGG ID":"C05341"},{"Metabolite":"5-Methoxy-N,N-dimethyltryptamine","RefMet name":"-","KEGG ID":"C08309"},{"Metabolite":"o-Succinylhomoserine","RefMet name":"o-Succinylhomoserine","KEGG ID":"C01118"},{"Metabolite":"trans-Zeatin","RefMet name":"trans-Zeatin","KEGG ID":"C00371"},{"Metabolite":"5-Hydroxytryptophan","RefMet name":"5-Hydroxy-tryptophan","KEGG ID":"C00643"},{"Metabolite":"N-Acetylglucosylamine","RefMet name":"N-Acetyl-beta-glucosaminylamine","KEGG ID":"C01239"},{"Metabolite":"N-Acetylglucosamine","RefMet name":"N-Acetyl-D-glucosamine","KEGG ID":"C00140"},{"Metabolite":"Cystathionine","RefMet name":"Cystathionine","KEGG ID":"C02291"},{"Metabolite":"3-Hydroxykynurenine","RefMet name":"Hydroxykynurenine","KEGG ID":"C02794"},{"Metabolite":"2'-Deoxycytidine","RefMet name":"Deoxycytidine","KEGG ID":"C00881"},{"Metabolite":"N1,N8-Diacetylspermidine","RefMet name":"N1,N8-Diacetylspermidine","KEGG ID":"-"},{"Metabolite":"gamma-Glu-2AB","RefMet name":"gamma-Glutamyl-2-aminobutyrate","KEGG ID":"-"},{"Metabolite":"Melatonin","RefMet name":"Melatonin","KEGG ID":"C01598"},{"Metabolite":"Sepiapterin","RefMet name":"Sepiapterin","KEGG ID":"C00835"},{"Metabolite":"7,8-Dihydrobiopterin","RefMet name":"-","KEGG ID":"C02953"},{"Metabolite":"Cystine","RefMet name":"Cystine","KEGG ID":"C00491"},{"Metabolite":"Anserine","RefMet name":"Anserine","KEGG ID":"C01262"},{"Metabolite":"Homocarnosine","RefMet name":"Homocarnosine","KEGG ID":"C00884"},{"Metabolite":"5-Methyl-2'-deoxycytidine","RefMet name":"5-Methyl-2'-deoxycytidine","KEGG ID":"C03592"},{"Metabolite":"Thymidine","RefMet name":"Thymidine","KEGG ID":"C00214"},{"Metabolite":"Cytidine","RefMet name":"Cytidine","KEGG ID":"C00475"},{"Metabolite":"Uridine","RefMet name":"Uridine","KEGG ID":"C00299"},{"Metabolite":"N1-Acetylspermine","RefMet name":"N1-Acetylspermine","KEGG ID":"C02567"},{"Metabolite":"N1-Acetylspermine_divalent","RefMet name":"N1-Acetylspermine","KEGG ID":"C02567"},{"Metabolite":"Octopine","RefMet name":"Octopine","KEGG ID":"C04137"},{"Metabolite":"Pyridoxamine 5'-phosphate","RefMet name":"Pyridoxamine 5'-phosphate","KEGG ID":"C00647"},{"Metabolite":"gamma-Glu-cys","RefMet name":"gamma-Glutamylcysteine","KEGG ID":"C00669"},{"Metabolite":"Muramate","RefMet name":"-","KEGG ID":"C06470"},{"Metabolite":"5'-Deoxyadenosine","RefMet name":"5'-Deoxyadenosine","KEGG ID":"C05198"},{"Metabolite":"Purine riboside","RefMet name":"Nebularine","KEGG ID":"C01736"},{"Metabolite":"2'-Deoxyinosine","RefMet name":"Deoxyinosine","KEGG ID":"C05512"},{"Metabolite":"7,8-Dihydroneopterin","RefMet name":"7,8-Dihydroneopterin","KEGG ID":"C04874"},{"Metabolite":"Glycerophosphorylcholine","RefMet name":"sn-Glycero-3-phosphocholine","KEGG ID":"C00670"},{"Metabolite":"Thiamine","RefMet name":"Thiamine","KEGG ID":"C00378"},{"Metabolite":"N6-Methyl-2'-deoxyadenosine","RefMet name":"N6-Methyl-2'-deoxyadenosine","KEGG ID":"C03795"},{"Metabolite":"Adenosine","RefMet name":"Adenosine","KEGG ID":"C00212"},{"Metabolite":"2'-Deoxyguanosine","RefMet name":"Deoxyguanosine","KEGG ID":"C00330"},{"Metabolite":"Homocystine","RefMet name":"Homocystine","KEGG ID":"C01817"},{"Metabolite":"Inosine","RefMet name":"Inosine","KEGG ID":"C00294"},{"Metabolite":"Glu-Glu","RefMet name":"Glu-Glu","KEGG ID":"C01425"},{"Metabolite":"Saccharopine","RefMet name":"Saccharopine","KEGG ID":"C00449"},{"Metabolite":"1-Methyladenosine","RefMet name":"1-Methyladenosine","KEGG ID":"C02494"},{"Metabolite":"Guanosine","RefMet name":"Guanosine","KEGG ID":"C00387"},{"Metabolite":"Xanthosine","RefMet name":"Xanthosine","KEGG ID":"C01762"},{"Metabolite":"Ophthalmate","RefMet name":"Ophthalmic acid","KEGG ID":"-"},{"Metabolite":"Argininosuccinate","RefMet name":"Argininosuccinic acid","KEGG ID":"C03406"},{"Metabolite":"5-Methylthioadenosine","RefMet name":"5'-Methylthioadenosine","KEGG ID":"C00170"},{"Metabolite":"Glutathione(ox)","RefMet name":"-","KEGG ID":"C00127"},{"Metabolite":"N-alpha-Benzenolarginine ethylester","RefMet name":"-","KEGG ID":"C01670"},{"Metabolite":"3-Iodotyrosine","RefMet name":"-","KEGG ID":"C02515"},{"Metabolite":"Glutathione(red)","RefMet name":"-","KEGG ID":"C00051"},{"Metabolite":"Phe-Phe","RefMet name":"Phe-Phe","KEGG ID":"-"},{"Metabolite":"AICAR (5-Aminoimidazole-4-carboxamide ribotide)","RefMet name":"-","KEGG ID":"C04677"},{"Metabolite":"Thiamine monophosphate","RefMet name":"Thiamine monophosphate","KEGG ID":"C01081"},{"Metabolite":"Tetrahydropalmatine","RefMet name":"Tetrahydropalmatine","KEGG ID":"C02890"},{"Metabolite":"TRH","RefMet name":"Thyrotropin releasing hormone","KEGG ID":"C03958"},{"Metabolite":"Riboflavin","RefMet name":"FMN","KEGG ID":"C00255"},{"Metabolite":"S-Lactoylglutathione","RefMet name":"S-Lactoylglutathione","KEGG ID":"C03451"},{"Metabolite":"Leu-Leu-Tyr","RefMet name":"Leu-Leu-Tyr","KEGG ID":"C11331"},{"Metabolite":"3,5-Diiodo-tyrosine","RefMet name":"3,5-Diiodo-L-tyrosine","KEGG ID":"C01060"},{"Metabolite":"5-Methyltetrahydrofolate","RefMet name":"-","KEGG ID":"C00440"},{"Metabolite":"3,3',5-Triiodothyronine","RefMet name":"-","KEGG ID":"C02465"}]
}

}