CHEBI:48942 - isovalerate

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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
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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.
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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
Synonyms Sources
3-methyl-n-butyrate ChEBI
3-methylbutanoate UniProt
3-methylbutyrate ChEBI
β-methylbutyrate ChEBI
delphinate ChEBI
isopentanoate ChEBI
isopropylacetate ChEBI
isovalerianate ChEBI
Registry Number Type Source
773692 Beilstein Registry Number Beilstein
Citation Waiting for Citations Type Source
19138353 PubMed citation Europe PMC
Last Modified
11 July 2023