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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:17308 - 2-oxohexanoic acid
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ChEBI Name
2-oxohexanoic acid
ChEBI ID
CHEBI:17308
Definition
A straight-chain fatty acid consisting of hexanoic acid having an oxo group at position 2.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:1256
Supplier Information
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Formula
C6H10O3
Net Charge
0
Average Mass
130.14180
Monoisotopic Mass
130.06299
InChI
InChI=1S/C6H10O3/c1-2-3-4-5(7)6(8)9/h2-4H2,1H3,(H,8,9)
InChIKey
XNIHZNNZJHYHLC-UHFFFAOYSA-N
SMILES
CCCCC(=O)C(O)=O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
Found in blood serum
(BTO:0000133)
. See:
MetaboLights Study
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
human blood serum metabolite
Any metabolite (endogenous or exogenous) found in human blood serum samples.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2-oxohexanoic acid (
CHEBI:17308
)
has functional parent
hexanoic acid (
CHEBI:30776
)
2-oxohexanoic acid (
CHEBI:17308
)
has role
human blood serum metabolite (
CHEBI:85234
)
2-oxohexanoic acid (
CHEBI:17308
)
is a
2-oxo monocarboxylic acid (
CHEBI:35910
)
2-oxohexanoic acid (
CHEBI:17308
)
is a
medium-chain fatty acid (
CHEBI:59554
)
2-oxohexanoic acid (
CHEBI:17308
)
is a
oxo fatty acid (
CHEBI:59644
)
2-oxohexanoic acid (
CHEBI:17308
)
is a
straight-chain fatty acid (
CHEBI:59202
)
2-oxohexanoic acid (
CHEBI:17308
)
is conjugate acid of
2-oxohexanoate (
CHEBI:35177
)
Incoming
2-oxohexanoate (
CHEBI:35177
)
is conjugate base of
2-oxohexanoic acid (
CHEBI:17308
)
IUPAC Name
2-oxohexanoic acid
Synonyms
Sources
2-keto-n-caproic acid
LIPID MAPS
2-ketohexanoic acid
ChEBI
2-oxo 6:0
ChEBI
2-oxo C6:0
ChEBI
2-Oxohexanoate
KEGG COMPOUND
2-Oxohexanoic acid
KEGG COMPOUND
α-ketocaproic acid
ChemIDplus
alpha-Ketocaproic acid
KEGG COMPOUND
α-ketohexanoic acid
ChEBI
Manual Xrefs
Databases
C00902
KEGG COMPOUND
LMFA01060007
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
1749831
Reaxys Registry Number
Reaxys
2492-75-3
CAS Registry Number
KEGG COMPOUND
2492-75-3
CAS Registry Number
ChemIDplus
Citations
Types
Sources
16014804
PubMed citation
Europe PMC
7045091
PubMed citation
Europe PMC
Last Modified
23 October 2015