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CHEBI:30820 - 2-oxooctadecanoic acid
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ChEBI Name
2-oxooctadecanoic acid
ChEBI ID
CHEBI:30820
Definition
A 2-oxo monocarboxylic acid that is octadecanoic acid (stearic acid) in which the hydrogens at position 2 have been replaced by an oxo group.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:1260, CHEBI:19756
Supplier Information
Download
Molfile
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Molfile
Formula
C18H34O3
Net Charge
0
Average Mass
298.461
Monoisotopic Mass
298.25079
InChI
InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h2-16H2,1H3,(H,20,21)
InChIKey
JUCAMRNDACLKGY-UHFFFAOYSA-N
SMILES
C(CCCCCCCC)CCCCCCCC(C(O)=O)=O
Metabolite of Species
Details
Ailuropoda melanoleuca
(NCBI:txid9646)
Found in milk See:
PubMed
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
2-oxooctadecanoic acid (
CHEBI:30820
)
has functional parent
octadecanoic acid (
CHEBI:28842
)
2-oxooctadecanoic acid (
CHEBI:30820
)
is a
2-oxo monocarboxylic acid (
CHEBI:35910
)
2-oxooctadecanoic acid (
CHEBI:30820
)
is conjugate acid of
2-oxooctadecanoate (
CHEBI:17162
)
Incoming
2-oxooctadecanoate (
CHEBI:17162
)
is conjugate base of
2-oxooctadecanoic acid (
CHEBI:30820
)
IUPAC Name
2-oxooctadecanoic acid
Synonyms
Sources
2-oxo-octadecanoic acid
ChEBI
2-Oxooctadecanoic acid
KEGG COMPOUND
2-oxostearic acid
ChEBI
Manual Xrefs
Databases
C00869
KEGG COMPOUND
LMFA01060119
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
1789750
Beilstein Registry Number
Beilstein
1789750
Reaxys Registry Number
Reaxys
Citation
Type
Source
26630345
PubMed citation
Europe PMC
Last Modified
08 March 2017