EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:192539 - 10-oxo-12(Z)-octadecenoic acid

ChEBI IDCHEBI:192539
ChEBI Name10-oxo-12(Z)-octadecenoic acid
Stars
Last Modified8 September 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H32O3
Net Charge0
Average Mass296.451
Monoisotopic Mass296.23514
SMILESCCCCC/C=C\CC(=O)CCCCCCCCC(=O)O
InChIInChI=1S/C18H32O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h8,11H,2-7,9-10,12-16H2,1H3,(H,20,21)/b11-8-
InChIKeyIEQLMTRAAYQDSD-FLIBITNWSA-N
Species of MetaboliteComponentSourceComments
Mus Musculus (ncbitaxon:10090)
serum (BTO:0001239) MetaboLights (MTBLS4590) Strain: BALB/c [EFO:0000602]
lung (BTO:0000763) MetaboLights (MTBLS4590) Strain: BALB/c [EFO:0000602]
colon (BTO:0000269) MetaboLights (MTBLS4590) Strain: BALB/c [EFO:0000602]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
10-oxo-12(Z)-octadecenoic acid (CHEBI:192539) is a octadecenoic acid (CHEBI:25634)
10-oxo-12(Z)-octadecenoic acid (CHEBI:192539) is a oxo monocarboxylic acid (CHEBI:35871)
IUPAC Name 
(Z)-10-oxooctadec-12-enoic acid
Manual XrefsDatabases
LMFA02000055LIPID MAPS
26326194ChemSpider