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A 2-oxo monocarboxylic acid that is octadecanoic acid (stearic acid) in which the hydrogens at position 2 have been replaced by an oxo group.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
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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 (Bronsted 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
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Registry Numbers Types Sources
1789750 Beilstein Registry Number Beilstein
1789750 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
26630345 PubMed citation Europe PMC
Last Modified
08 March 2017