EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:173189 - 12-oxo-5E,8E,10Z-heptadecatrienoic acid

ChEBI IDCHEBI:173189
ChEBI Name12-oxo-5E,8E,10Z-heptadecatrienoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H26O3
Net Charge0
Average Mass278.392
Monoisotopic Mass278.18819
SMILESCCCCCC(=O)/C=C\C=C\C/C=C/CCCC(=O)O
InChIInChI=1S/C17H26O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h5-8,11,14H,2-4,9-10,12-13,15H2,1H3,(H,19,20)/b7-5+,8-6+,14-11-
InChIKeyBEHRKNVAYQNKGG-XTYDYNBASA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) feces (BTO:0000440) MetaboLights (MTBLS2721)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
12-oxo-5E,8E,10Z-heptadecatrienoic acid (CHEBI:173189) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(5E,8E,10Z)-12-oxoheptadeca-5,8,10-trienoic acid
Manual XrefsDatabases
LMFA01060111LIPID MAPS
4472329ChemSpider
Registry NumbersSources
CAS:103374-38-5ChemIDplus