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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:48942 - isovalerate
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ChEBI Ontology
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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.
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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.
View more via ChEBI Ontology
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
Type
Source
19138353
PubMed citation
Europe PMC
Last Modified
11 July 2023