isovalerate (CHEBI:48942)

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ChEBI Name	isovalerate

ChEBI ID	CHEBI:48942

Definition	A branched-chain saturated fatty acid anion that is the conjugate base of isovaleric acid; reported to improve ruminal fermentation and feed digestion in cattle.

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

Supplier Information	ChemicalBook:CB5274446, eMolecules:498545, ZINC000001530011

Download	Molfile XML SDF

Formula

C5H9O2

Net Charge

-1

Average Mass

101.12376

Monoisotopic Mass

101.06080

InChI

InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)/p-1

InChIKey

GWYFCOCPABKNJV-UHFFFAOYSA-M

SMILES

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

Roles Classification
Biological Role(s):	mammalian metabolite Any animal metabolite produced during a metabolic reaction in mammals. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology
Outgoing	isovalerate (CHEBI:48942) has role mammalian metabolite (CHEBI:75768) isovalerate (CHEBI:48942) has role plant metabolite (CHEBI:76924) isovalerate (CHEBI:48942) is a 3-methyl fatty acid anion (CHEBI:83972) isovalerate (CHEBI:48942) is a branched-chain saturated fatty acid anion (CHEBI:58956) isovalerate (CHEBI:48942) is a short-chain fatty acid anion (CHEBI:58951) isovalerate (CHEBI:48942) is conjugate base of isovaleric acid (CHEBI:28484)

Incoming	ammonium isovalerate (CHEBI:188326) has part isovalerate (CHEBI:48942) isovaleric acid (CHEBI:28484) is conjugate acid of isovalerate (CHEBI:48942)

IUPAC Name

3-methylbutanoate

Registry Number	Type	Source
773692	Beilstein Registry Number	Beilstein

Citation

Last Modified

11 July 2023