CHEBI:50576 - 3-oxooctadecanoic acid

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ChEBI Name 3-oxooctadecanoic acid
ChEBI ID CHEBI:50576
Definition A 3-oxo fatty acid derived from stearic acid.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C18H34O3
Net Charge 0
Average Mass 298.461
Monoisotopic Mass 298.25079
InChI InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21/h2-16H2,1H3,(H,20,21)
InChIKey YQGGUZWHNVQJMF-UHFFFAOYSA-N
SMILES C(CCCCCCCC)CCCCCCC(CC(O)=O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 3-oxooctadecanoic acid (CHEBI:50576) has functional parent octadecanoic acid (CHEBI:28842)
3-oxooctadecanoic acid (CHEBI:50576) is a 3-oxo fatty acid (CHEBI:134416)
Incoming 3-oxooctadecanoyl-CoA (CHEBI:50571) has functional parent 3-oxooctadecanoic acid (CHEBI:50576)
IUPAC Name
3-oxooctadecanoic acid
Synonyms Sources
3-keto stearic acid LIPID MAPS
3-ketostearic acid ChEBI
3-oxostearic acid ChEBI
Manual Xrefs Databases
HMDB0010736 HMDB
LMFA02000240 LIPID MAPS
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Registry Number Type Source
1791558 Beilstein Registry Number Beilstein
Last Modified
08 March 2017