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CHEBI:50576 - 3-oxooctadecanoic acid

ChEBI IDCHEBI:50576
ChEBI Name3-oxooctadecanoic acid
Stars
DefinitionA 3-oxo fatty acid derived from stearic acid.
Last Modified8 March 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC18H34O3
Net Charge0
Average Mass298.467
Monoisotopic Mass298.25079
SMILESCCCCCCCCCCCCCCCC(=O)CC(=O)O
InChIInChI=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)
InChIKeyYQGGUZWHNVQJMF-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
3-oxooctadecanoyl-CoA (CHEBI:50571) has functional parent 3-oxooctadecanoic acid (CHEBI:50576)
IUPAC Name 
3-oxooctadecanoic acid
Synonyms  Source
3-keto stearic acidLIPID MAPS
3-ketostearic acidChEBI
3-oxostearic acidChEBI
Manual XrefsDatabases
LMFA02000240LIPID MAPS
HMDB0010736HMDB
Registry NumbersSources
Beilstein:1791558Beilstein