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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:48944 - isobutyrate
Main
ChEBI Ontology
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ChEBI Name
isobutyrate
ChEBI ID
CHEBI:48944
Definition
A branched, short-chain, saturated fatty acid anion; the conjugate base of isobutyric acid, formed by deprotonation of the carboxylic acid group.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:11627, CHEBI:25334
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Formula
C4H7O2
Net Charge
-1
Average Mass
87.09718
Monoisotopic Mass
87.04515
InChI
InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)/p-1
InChIKey
KQNPFQTWMSNSAP-UHFFFAOYSA-M
SMILES
CC(C)C([O-])=O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
See:
PubMed
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
isobutyrate (
CHEBI:48944
)
has functional parent
propionate (
CHEBI:17272
)
isobutyrate (
CHEBI:48944
)
has role
human metabolite (
CHEBI:77746
)
isobutyrate (
CHEBI:48944
)
has role
plant metabolite (
CHEBI:76924
)
isobutyrate (
CHEBI:48944
)
is a
branched-chain saturated fatty acid anion (
CHEBI:58956
)
isobutyrate (
CHEBI:48944
)
is a
fatty acid anion 4:0 (
CHEBI:78115
)
isobutyrate (
CHEBI:48944
)
is conjugate base of
isobutyric acid (
CHEBI:16135
)
Incoming
2-hydroxyisobutyrate (
CHEBI:19641
)
has functional parent
isobutyrate (
CHEBI:48944
)
isobutyric acid (
CHEBI:16135
)
is conjugate acid of
isobutyrate (
CHEBI:48944
)
IUPAC Name
2-methylpropanoate
Synonyms
Sources
2-methylpropanoate
UniProt
2-methylpropanoic acid, ion(1−)
ChemIDplus
2-methylpropionate
ChEBI
i-butyrate
ChEBI
iPrCO2 anion
NIST Chemistry WebBook
isobutanoate
ChEBI
Isobutyrat
ChEBI
isobutyric acid anion
ChEBI
methylpropanoate
ChEBI
Manual Xrefs
Databases
c0383
UM-BBD
ISOBUTYRATE
MetaCyc
View more database links
Registry Numbers
Types
Sources
324364
Gmelin Registry Number
Gmelin
3903644
Beilstein Registry Number
Beilstein
3903644
Reaxys Registry Number
Reaxys
5711-69-3
CAS Registry Number
NIST Chemistry WebBook
5711-69-3
CAS Registry Number
ChemIDplus
Last Modified
16 April 2018