4-methyl-2-oxopentanoate (CHEBI:17865)

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ChEBI Name	4-methyl-2-oxopentanoate

ChEBI ID	CHEBI:17865

Definition	A 2-oxo monocarboxylic acid anion that is the conjugate base of 4-methyl-2-oxopentanoic acid.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:20438, CHEBI:12020

Supplier Information	ChemicalBook:CB02130578, ChemicalBook:CB4355560, eMolecules:477277, ZINC000001482113

Download	Molfile XML SDF

Formula

C6H9O3

Net Charge

-1

Average Mass

129.13386

Monoisotopic Mass

129.05572

InChI

InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/p-1

InChIKey

BKAJNAXTPSGJCU-UHFFFAOYSA-M

SMILES

CC(C)CC(=O)C([O-])=O

Metabolite of Species	Details
Saccharomyces cerevisiae (NCBI:txid4932)	Source: yeast.sf.net See: PubMed
Homo sapiens (NCBI:txid9606)	See: DOI

Roles Classification
Biological Role(s):	Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

ChEBI Ontology
Outgoing	4-methyl-2-oxopentanoate (CHEBI:17865) has functional parent valerate (CHEBI:31011) 4-methyl-2-oxopentanoate (CHEBI:17865) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) 4-methyl-2-oxopentanoate (CHEBI:17865) has role human metabolite (CHEBI:77746) 4-methyl-2-oxopentanoate (CHEBI:17865) is a 2-oxo monocarboxylic acid anion (CHEBI:35179) 4-methyl-2-oxopentanoate (CHEBI:17865) is a branched-chain keto acid anion (CHEBI:191201) 4-methyl-2-oxopentanoate (CHEBI:17865) is conjugate base of 4-methyl-2-oxopentanoic acid (CHEBI:48430)

Incoming	4-methyl-2-oxopentanoic acid (CHEBI:48430) is conjugate acid of 4-methyl-2-oxopentanoate (CHEBI:17865)

IUPAC Name

4-methyl-2-oxopentanoate

Registry Number	Type	Source
3904096	Reaxys Registry Number	Reaxys

Last Modified

22 April 2022