2-methylvaleric acid (CHEBI:167644)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	2-methylvaleric acid

ChEBI ID	CHEBI:167644

Definition	A methyl-branched fatty acid that is pentanoic acid which carries a methyl group at position 2.

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

Supplier Information

Download	Molfile XML SDF

Formula

C6H12O2

Net Charge

Average Mass

116.160

Monoisotopic Mass

116.08373

InChI

InChI=1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)

InChIKey

OVBFMEVBMNZIBR-UHFFFAOYSA-N

SMILES

CCCC(C)C(O)=O

Metabolite of Species	Details
Salix sp. (NCBI:txid65566)	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):	flavouring agent A food additive that is used to added improve the taste or odour of a food. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

Application(s):	flavouring agent A food additive that is used to added improve the taste or odour of a food. fragrance A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.

ChEBI Ontology
Outgoing	2-methylvaleric acid (CHEBI:167644) has role flavouring agent (CHEBI:35617) 2-methylvaleric acid (CHEBI:167644) has role fragrance (CHEBI:48318) 2-methylvaleric acid (CHEBI:167644) has role plant metabolite (CHEBI:76924) 2-methylvaleric acid (CHEBI:167644) is a branched-chain saturated fatty acid (CHEBI:39417) 2-methylvaleric acid (CHEBI:167644) is a methyl-branched fatty acid (CHEBI:62499) 2-methylvaleric acid (CHEBI:167644) is a monocarboxylic acid (CHEBI:25384) 2-methylvaleric acid (CHEBI:167644) is a short-chain fatty acid (CHEBI:26666) 2-methylvaleric acid (CHEBI:167644) is conjugate acid of 2-methylvalerate (CHEBI:167611)

Incoming	2-methylvalerate (CHEBI:167611) is conjugate base of 2-methylvaleric acid (CHEBI:167644)

IUPAC Name

2-methylpentanoic acid

Last Modified

12 March 2021