CHEBI:86365 - 2-methyl-3-ketovaleric acid

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 2-methyl-3-ketovaleric acid ChEBI ID CHEBI:86365 Definition A 3-oxo monocarboxylic acid that is valeric acid substituted by a methyl group at position 2 and a keto group at position 3. 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/c1-3-5(7)4(2)6(8)9/h4H,3H2,1-2H3,(H,8,9) InChIKey QTLYPQZWYOHATR-UHFFFAOYSA-N SMILES CCC(=O)C(C)C(O)=O Metabolite of Species Details Homo sapiens (NCBI:txid9606) See: PubMed 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 2-methyl-3-ketovaleric acid (CHEBI:86365) has functional parent valeric acid (CHEBI:17418) 2-methyl-3-ketovaleric acid (CHEBI:86365) has role human metabolite (CHEBI:77746) 2-methyl-3-ketovaleric acid (CHEBI:86365) is a 3-oxo monocarboxylic acid (CHEBI:47881) IUPAC Name 2-methyl-3-oxopentanoic acid Synonyms Sources 2-Methyl-3-oxo-pentanoic acid HMDB 2-Methyl-3-oxovaleric acid HMDB beta-Ketoisocaproic acid HMDB Manual Xrefs Databases HMDB0000408 HMDB LMFA01060192 LIPID MAPS View more database links Registry Numbers Types Sources 14925-93-0 CAS Registry Number ChemIDplus 6122768 Reaxys Registry Number Reaxys Citation Type Source 24023812 PubMed citation Europe PMC Last Modified 20 January 2017