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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:35177 - 2-oxohexanoate
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ChEBI Name
2-oxohexanoate
ChEBI ID
CHEBI:35177
Definition
A medium-chain fatty acid anion that is the conjugate base of 2-oxohexanoic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:11640, CHEBI:19752
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Formula
C6H9O3
Net Charge
-1
Average Mass
129.13390
Monoisotopic Mass
129.05572
InChI
InChI=1S/C6H10O3/c1-2-3-4-5(7)6(8)9/h2-4H2,1H3,(H,8,9)/p-1
InChIKey
XNIHZNNZJHYHLC-UHFFFAOYSA-M
SMILES
CCCCC(=O)C([O-])=O
ChEBI Ontology
Outgoing
2-oxohexanoate (
CHEBI:35177
)
has functional parent
hexanoate (
CHEBI:17120
)
2-oxohexanoate (
CHEBI:35177
)
is a
2-oxo monocarboxylic acid anion (
CHEBI:35179
)
2-oxohexanoate (
CHEBI:35177
)
is a
oxo fatty acid anion (
CHEBI:59836
)
2-oxohexanoate (
CHEBI:35177
)
is conjugate base of
2-oxohexanoic acid (
CHEBI:17308
)
Incoming
2-oxohexanoic acid (
CHEBI:17308
)
is conjugate acid of
2-oxohexanoate (
CHEBI:35177
)
IUPAC Name
2-oxohexanoate
Synonyms
Sources
2-ketocaproate
ChEBI
2-ketohexanoate
ChEBI
2-oxocaproate
ChEBI
2-oxohexanoate
UniProt
2-Oxohexanoate
KEGG COMPOUND
Manual Xref
Database
C00902
KEGG COMPOUND
View more database links
Citations
Types
Sources
16014804
PubMed citation
Europe PMC
7045091
PubMed citation
Europe PMC
Last Modified
13 November 2017