CHEBI:28654 - 3-methyl-2-oxovalerate

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ChEBI Name 3-methyl-2-oxovalerate ChEBI ID CHEBI:28654 Definition A 2-oxo monocarboxylic acid anion that is the conjugate base of 3-methyl-2-oxovaleric acid, arising from deprotonation of the carboxy group; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:1585, CHEBI:20116 Supplier Information ChemicalBook:CB8327518, eMolecules:501674, ZINC000000900692 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C6H9O3 Net Charge -1 Average Mass 129.13390 Monoisotopic Mass 129.05572 InChI InChI=1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/p-1 InChIKey JVQYSWDUAOAHFM-UHFFFAOYSA-M SMILES CCC(C)C(=O)C([O-])=O Metabolite of Species Details Homo sapiens (NCBI:txid9606) See: DOI Roles Classification 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-oxovalerate (CHEBI:28654) has functional parent valerate (CHEBI:31011) 3-methyl-2-oxovalerate (CHEBI:28654) has role human metabolite (CHEBI:77746) 3-methyl-2-oxovalerate (CHEBI:28654) is a 2-oxo monocarboxylic acid anion (CHEBI:35179) 3-methyl-2-oxovalerate (CHEBI:28654) is a branched-chain keto acid anion (CHEBI:191201) 3-methyl-2-oxovalerate (CHEBI:28654) is conjugate base of 3-methyl-2-oxovaleric acid (CHEBI:35932) Incoming (R)-3-methyl-2-oxovalerate (CHEBI:228255) is a 3-methyl-2-oxovalerate (CHEBI:28654) (S)-3-methyl-2-oxovalerate (CHEBI:35146) is a 3-methyl-2-oxovalerate (CHEBI:28654) 3-methyl-2-oxovaleric acid (CHEBI:35932) is conjugate acid of 3-methyl-2-oxovalerate (CHEBI:28654) IUPAC Name 3-methyl-2-oxopentanoate Synonyms Sources 2-keto-3-methylvalerate HMDB 2-Oxo-3-methylpentanoate HMDB 2-Oxo-3-methylvalerate KEGG COMPOUND 3-Methyl-2-oxopentanoate HMDB 3-methyl-2-oxopentanoate UniProt 3-Methyl-2-oxovalerate HMDB α-keto-β-methylvalerate ChEBI α-oxo-β-methylvalerate ChEBI Manual Xrefs Databases C03465 KEGG COMPOUND HMDB0000491 HMDB View more database links Registry Number Type Source 3904281 Reaxys Registry Number Reaxys Last Modified 25 October 2024