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3-methyl-2-oxobutanoate

Properties Image MNX_ID MNXM732866 reference chebi:11851 formula C5H7O3 global charge -1 mol weight 115.108 InChIKey QHKABHOOEWYVLI-UHFFFAOYSA-M InChI InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8)/p-1 SMILES CC(C)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8) SMILES (mnx) [CH3:1][CH:3]([CH3:2])[C:4]([C:5]([OH:7])=[O:8])=[O:6]
Parent-child relations graph	Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 67 in models (compartimentalized) 38

Similar chemical compounds in external resources

Identifier	Description
reactome:R-ALL-113584 reactomeM:R-ALL-113584 reactome:R-ALL-70846 reactomeM:R-ALL-70846 CHEBI:11851 chebi:11851 QHKABHOOEWYVLI-UHFFFAOYSA-M	3-methyl-2-oxobutanoate 2-Oxo-3-methylbutanoate 2-Oxoisopentanoate 2-Oxoisovalerate 3-methyl-2-oxobutyrate alpha-keto-isovalerate
bigg.metabolite:3mob biggM:3mob QHKABHOOEWYVLI-UHFFFAOYSA-M	3-Methyl-2-oxobutanoate
seed.compound:cpd00123 seedM:cpd00123 QHKABHOOEWYVLI-UHFFFAOYSA-M	3-Methyl-2-oxobutanoate 2-Keto-3-methylbutyric acid 2-Ketovaline 2-Oxo-3-methylbutanoate 2-Oxoisopentanoate 2-Oxoisovalerate 2-keto-3-methylbutyric acid 2-keto-isovalerate 2-ketovaline 2-oxo-3-methylbutanoate 2-oxoisopentanoate 2-oxoisovalerate 3-Methyl-2-oxobutanoic acid 3-Methyl-2-oxobutyric acid 3-methyl-2-oxobutanoate 3-methyl-2-oxobutyrate 3MOB 3mob alpha-Ketovaline alpha-keto-isovalerate alpha-keto-isovaleric acid alpha-keto-valine alpha-ketoisopentanoic acid alpha-ketovaline alpha-oxoisovalerate
kegg.compound:C00141 keggC:C00141 QHKABHOOEWYVLI-UHFFFAOYSA-N	3-Methyl-2-oxobutanoic acid 2-Keto-3-methylbutyric acid 2-Ketovaline 2-Oxo-3-methylbutanoate 2-Oxoisopentanoate 2-Oxoisovalerate 3-Methyl-2-oxobutanoate 3-Methyl-2-oxobutyric acid alpha-Ketoisovalerate alpha-Ketovaline
lipidmaps:LMFA01020274 lipidmapsM:LMFA01020274 QHKABHOOEWYVLI-UHFFFAOYSA-N	3-methyl-2-oxo-butanoic acid 3-methyl-2-oxo-butanoic acid FA 5:1 O
vmhM:iptca2ox vmhM:iptca2ox vmhmetabolite:iptca2ox vmhmetabolite:iptca2ox QHKABHOOEWYVLI-UHFFFAOYSA-M	3-methyl-2-oxobutanoate 2-Keto-3-methylbutyrate 2-Keto-3-methylbutyric acid 2-Ketoisovalerate 2-Ketoisovaleric acid 2-Ketoisvaleric acid 2-Ketovaline 2-Oxoisopentanoate 2-Oxoisopentanoic acid 2-Oxoisovalerate 2-Oxoisovaleric acid 2-oxo-3-Methyl-butyrate 2-oxo-3-Methylbutanoate 2-oxo-3-Methylbutanoic acid 2-oxo-3-Methylbutyrate 2-oxo-3-Methylbutyric acid 3-Methyl-2-oxo-butanoate 3-Methyl-2-oxo-butanoic acid 3-Methyl-2-oxo-butyrate 3-Methyl-2-oxo-butyric acid 3-Methyl-2-oxobutanoate 3-Methyl-2-oxobutanoic acid 3-Methyl-2-oxobutinoate 3-Methyl-2-oxobutinoic acid 3-Methyl-2-oxobutyrate 3-Methyl-2-oxobutyric acid Cellular membrane Csf Cucurbits Cytoplasma Digestion Dimethylpyruvate Dimethylpyruvic acid Extracellular region Faecal Faeces Fauna Fecal Flora Gourds Gramineae Isopropylglyoxylate Isopropylglyoxylic acid Ketovaline Legume Membrane integrity agent Membrane stability agent Neurotoxic Neurotoxic agent Papilionoideae Signal transduction Soy Soya Soya bean Soybean Stool Surface-active agent a-Keto-b-methylbutyrate a-Keto-b-methylbutyric acid a-Keto-isovalerate a-Keto-isovaleric acid a-Ketoisovalerate a-Ketoisovaleric acid a-Ketovaline a-Oxoisovalerate a-Oxoisovaleric acid a-oxo-b-Methylbutyrate a-oxo-b-Methylbutyric acid a-oxo-b-Methylbutyricacid alpha-Keto-beta-methylbutyrate alpha-Keto-beta-methylbutyric acid alpha-Keto-isovalerate alpha-Keto-isovaleric acid alpha-Ketoisopentanoic acid alpha-Ketoisovalerate alpha-Ketoisovaleric acid alpha-Ketovaline alpha-Oxoisovalerate alpha-Oxoisovaleric acid alpha-keto-isovalerate alpha-keto-isovaleric acid alpha-ketoisovalerate alpha-ketoisovaleric acid alpha-ketovaline alpha-oxo-beta-Methylbutyrate alpha-oxo-beta-Methylbutyric acid alpha-oxo-beta-Methylbutyricacid alpha-oxo-beta-methylbutyricacid alpha-oxoisovalerate alpha-oxoisovaleric acid
metacyc.compound:2-KETO-ISOVALERATE metacycM:2-KETO-ISOVALERATE QHKABHOOEWYVLI-UHFFFAOYSA-M	3-methyl-2-oxobutanoate 2-keto-3-methylbutyric acid 2-keto-isovalerate 2-ketovaline 2-oxo-3-methylbutanoate 2-oxoisopentanoate 2-oxoisovalerate 3-methyl-2-oxobutyrate alpha-keto-isovalerate alpha-keto-isovaleric acid alpha-keto-valine alpha-ketoisopentanoic acid alpha-ketovaline alpha-oxoisovalerate
CHEBI:16530 chebi:16530 QHKABHOOEWYVLI-UHFFFAOYSA-N	3-methyl-2-oxobutanoic acid 2-Keto-3-methylbutyric acid 2-Ketoisovaleric acid 2-Ketovaline 2-Oxo-3-methylbutanoic acid 2-Oxo-3-methylbutyric acid 2-Oxoisovaleric acid 3-METHYL-2-OXOBUTANOIC ACID 3-Methyl-2-oxobutanoate 3-Methyl-2-oxobutanoic acid 3-Methyl-2-oxobutyric acid Dimethylpyruvic acid Isopropylglyoxylic acid alpha-Ketovaline alpha-keto-isovaleric acid alpha-oxo-beta-methylbutyricacid alpha-oxoisovaleric acid
hmdb:HMDB0000019 QHKABHOOEWYVLI-UHFFFAOYSA-N	alpha-Ketoisovaleric acid 2-Keto-3-methylbutyrate 2-Keto-3-methylbutyric acid 2-Ketoisovalerate 2-Ketoisovaleric acid 2-Ketoisvaleric acid 2-Ketovaline 2-Oxoisopentanoate 2-Oxoisopentanoic acid 2-Oxoisovalerate 2-Oxoisovaleric acid 2-oxo-3-Methyl-butyrate 2-oxo-3-Methylbutanoate 2-oxo-3-Methylbutanoic acid 2-oxo-3-Methylbutyrate 2-oxo-3-Methylbutyric acid 3-Methyl-2-oxo-butanoate 3-Methyl-2-oxo-butanoic acid 3-Methyl-2-oxo-butyrate 3-Methyl-2-oxo-butyric acid 3-Methyl-2-oxobutanoate 3-Methyl-2-oxobutanoic acid 3-Methyl-2-oxobutinoate 3-Methyl-2-oxobutinoic acid 3-Methyl-2-oxobutyrate 3-Methyl-2-oxobutyric acid 3-methyl-2-oxobutanoic acid Dimethylpyruvate Dimethylpyruvic acid Isopropylglyoxylate Isopropylglyoxylic acid Ketovaline a-Keto-b-methylbutyrate a-Keto-b-methylbutyric acid a-Keto-isovalerate a-Keto-isovaleric acid a-Ketoisovalerate a-Ketoisovaleric acid a-Ketovaline a-Oxoisovalerate a-Oxoisovaleric acid a-oxo-b-Methylbutyrate a-oxo-b-Methylbutyric acid a-oxo-b-Methylbutyricacid alpha-Keto-beta-methylbutyrate alpha-Keto-beta-methylbutyric acid alpha-Keto-isovalerate alpha-Keto-isovaleric acid alpha-Ketoisopentanoic acid alpha-Ketoisovalerate alpha-Ketovaline alpha-Oxoisovalerate alpha-Oxoisovaleric acid alpha-keto-isovalerate alpha-keto-isovaleric acid alpha-ketoisovalerate alpha-ketoisovaleric acid alpha-ketovaline alpha-oxo-beta-Methylbutyrate alpha-oxo-beta-Methylbutyric acid alpha-oxo-beta-Methylbutyricacid alpha-oxo-beta-methylbutyricacid alpha-oxoisovalerate alpha-oxoisovaleric acid
sabiork.compound:1945 sabiorkM:1945 QHKABHOOEWYVLI-UHFFFAOYSA-M	alpha-Ketovaline 2-Keto-3-methylbutyric acid 2-Ketoisovalerate 2-Ketovaline 2-Oxo-3-methylbutanoate 2-Oxoisopentanoate 2-Oxoisovalerate 3-Methyl-2-oxobutanoate 3-Methyl-2-oxobutyric acid alpha-Ketoisovalerate
envipath:...fa61f1f45f03 envipathM:...fa61f1f45f03 QHKABHOOEWYVLI-UHFFFAOYSA-M	compound 0038785
hmdb:HMDB00019 hmdb:HMDB0004260 hmdb:HMDB04260 chebi:1584 chebi:20115 chebi:43714 vmhM:3mob vmhM:3mob biggM:M_3mob keggC:M_C00141 seedM:M_cpd00123 vmhM:M_iptca2ox	secondary/obsolete/fantasy identifier