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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:44680 - 3-oxooctanoic acid
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ChEBI Name
3-oxooctanoic acid
ChEBI ID
CHEBI:44680
Definition
A derivative of octanoic acid carrying a β-oxo group; a possible metabolite of 2-octynoic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:37106, CHEBI:44675
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Formula
C8H14O3
Net Charge
0
Average Mass
158.19496
Monoisotopic Mass
158.09429
InChI
InChI=1S/C8H14O3/c1-2-3-4-5-7(9)6-8(10)11/h2-6H2,1H3,(H,10,11)
InChIKey
FWNRRWJFOZIGQZ-UHFFFAOYSA-N
SMILES
CCCCCC(=O)CC(O)=O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3-oxooctanoic acid (
CHEBI:44680
)
has functional parent
octanoic acid (
CHEBI:28837
)
3-oxooctanoic acid (
CHEBI:44680
)
is a
3-oxo fatty acid (
CHEBI:134416
)
Incoming
3-oxooctanoyl-CoA (
CHEBI:28264
)
has functional parent
3-oxooctanoic acid (
CHEBI:44680
)
IUPAC Name
3-oxooctanoic acid
Synonyms
Sources
3-keto-n-caprylic acid
LIPID MAPS
3-Ketooctanoic acid
ChemIDplus
β-ketocaprylic acid
ChEBI
β-ketooctanoic acid
ChEBI
β-oxocaprylic acid
ChEBI
β-oxooctanoic acid
ChEBI
Manual Xref
Database
LMFA01060017
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
13283-91-5
CAS Registry Number
ChemIDplus
1761409
Beilstein Registry Number
Beilstein
Citation
Type
Source
2765701
PubMed citation
Europe PMC
Last Modified
06 February 2017