CHEBI:35932 - 3-methyl-2-oxovaleric acid

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ChEBI Name 3-methyl-2-oxovaleric acid ChEBI ID CHEBI:35932 Definition A 2-oxo monocarboxylic acid that is valeric acid carrying oxo- and methyl substituents at C-2 and C-3, respectively. An α-keto acid analogue and metabolite of isoleucine in man, animals and bacteria. Used as a clinical marker for maple syrup urine disease (MSUD). Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C6H10O3 Net Charge 0 Average Mass 130.14180 Monoisotopic Mass 130.06299 InChI InChI=1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9) InChIKey JVQYSWDUAOAHFM-UHFFFAOYSA-N SMILES CCC(C)C(=O)C(O)=O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing 3-methyl-2-oxovaleric acid (CHEBI:35932) has functional parent valeric acid (CHEBI:17418) 3-methyl-2-oxovaleric acid (CHEBI:35932) has role human metabolite (CHEBI:77746) 3-methyl-2-oxovaleric acid (CHEBI:35932) is a 2-oxo monocarboxylic acid (CHEBI:35910) 3-methyl-2-oxovaleric acid (CHEBI:35932) is a branched-chain keto acid (CHEBI:191197) 3-methyl-2-oxovaleric acid (CHEBI:35932) is conjugate acid of 3-methyl-2-oxovalerate (CHEBI:28654) Incoming (R)-3-methyl-2-oxovaleric acid (CHEBI:28379) is a 3-methyl-2-oxovaleric acid (CHEBI:35932) (S)-3-methyl-2-oxovaleric acid (CHEBI:15614) is a 3-methyl-2-oxovaleric acid (CHEBI:35932) 3-methyl-2-oxovalerate (CHEBI:28654) is conjugate base of 3-methyl-2-oxovaleric acid (CHEBI:35932) IUPAC Name 3-methyl-2-oxopentanoic acid Synonyms Sources 2-Oxo-3-methyl-n-valeric acid HMDB 2-Oxo-3-methylpentanoic acid HMDB 2-Oxo-3-methylvalerate KEGG COMPOUND 2-Oxo-3-methylvaleric acid HMDB 2-Oxoisoleucine HMDB 2-oxokolavenic acid ChEBI 3-ethyl-3-methylpyruvic acid ChemIDplus 3-methyl-2-oxopentanoic acid HMDB 3-Methyl-2-oxopentanoic acid HMDB 3-methyl-2-oxovaleric acid HMDB α-keto-β-methyl-n-valeric acid ChEBI alpha-keto-beta-methylvaleric acid HMDB α-oxo-β-methyl-n-valeric acid ChEBI alpha-Oxo-beta-methylvaleric acid HMDB α-oxo-β-methylvaleric acid ChEBI ketoisoleucine ChEBI Manual Xrefs Databases C03465 KEGG COMPOUND HMDB0000491 HMDB View more database links Registry Numbers Types Sources 1098987 Reaxys Registry Number Reaxys 1460-34-0 CAS Registry Number ChemIDplus 971983 Gmelin Registry Number Gmelin Citations Types Sources 1638756 PubMed citation Europe PMC 17190852 PubMed citation Europe PMC 759179 PubMed citation Europe PMC Last Modified 21 April 2022