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CHEBI:133357 - 18-oxooleic acid

Default Structure
ChEBI IDCHEBI:133357
ChEBI Name18-oxooleic acid
Stars
DefinitionA monounsaturated fatty acid that is oleic acid in which the terminal methyl group has been oxidised to the corresponding aldehyde.
Last Modified27 February 2017
Submittermwilliams
DownloadsMolfile
FormulaC18H32O3
Net Charge0
Average Mass296.451
Monoisotopic Mass296.23514
SMILES[H]C(=O)CCCCCCC/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C18H32O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,17H,3-16H2,(H,20,21)/b2-1-
InChIKeySNOSCANYFCXCGY-UPHRSURJSA-N
Species of MetaboliteComponentSourceComments
Glycine max (ncbitaxon:3847)
seed (BTO:0001226) MetaboLights (MTBLS117)
seed (BTO:0001226) MetaboLights (MTBLS118)
seed (BTO:0001226) PubMed (25369450)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
18-oxooleic acid (CHEBI:133357) has functional parent oleic acid (CHEBI:16196)
18-oxooleic acid (CHEBI:133357) is a monounsaturated fatty acid (CHEBI:25413)
18-oxooleic acid (CHEBI:133357) is a ω-oxo fatty acid (CHEBI:76328)
IUPAC Name 
(9Z)-18-oxooctadec-9-enoic acid
Synonyms  Source
18-oxo-9Z-octadecenoateMetaCyc
18-oxo-octadec-9-enoic acidMetaCyc
18-OxooleateKEGG COMPOUND
Manual XrefsDatabases
18-OXOOLEATEMetaCyc
30790941ChemSpider
C19617KEGG COMPOUND