isocaproic acid (CHEBI:74903)

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ChEBI Name	isocaproic acid

ChEBI ID	CHEBI:74903

Definition	A methyl-branched fatty acid that is pentanoic acid with a methyl group substituent at position 4. It is a metabolite of 20 α-hydroxycholesterol

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

Secondary ChEBI IDs	CHEBI:40106

Supplier Information

Download	Molfile XML SDF

Formula

C6H12O2

Net Charge

Average Mass

116.15830

Monoisotopic Mass

116.08373

InChI

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

InChIKey

FGKJLKRYENPLQH-UHFFFAOYSA-N

SMILES

CC(C)CCC(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).

ChEBI Ontology
Outgoing	isocaproic acid (CHEBI:74903) has role human metabolite (CHEBI:77746) isocaproic acid (CHEBI:74903) is a branched-chain saturated fatty acid (CHEBI:39417) isocaproic acid (CHEBI:74903) is a medium-chain fatty acid (CHEBI:59554) isocaproic acid (CHEBI:74903) is a methyl-branched fatty acid (CHEBI:62499) isocaproic acid (CHEBI:74903) is conjugate acid of isocaproate (CHEBI:74904)

Incoming	(2E)-2-(hydroxyimino)isohexanoic acid (CHEBI:131356) has functional parent isocaproic acid (CHEBI:74903) 4-methylpentanoyl-CoA (CHEBI:131951) has functional parent isocaproic acid (CHEBI:74903) isocaproate (CHEBI:74904) is conjugate base of isocaproic acid (CHEBI:74903)

IUPAC Name

4-methylpentanoic acid

Citation	Type	Source
14446007	PubMed citation	Europe PMC

Last Modified

28 July 2016