EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:72843 - 9-oxo-10E,12E-ODE

ChEBI IDCHEBI:72843
ChEBI Name9-oxo-10E,12E-ODE
Stars
ASCII Name9-oxo-10E,12E-ODE
DefinitionAn oxooctadecadienoic acid that consists of 10E,12E-octadecadienoic acid with the oxo substituent located at position 9.
Last Modified17 April 2013
Submittermwilliams
DownloadsMolfile
FormulaC18H30O3
Net Charge0
Average Mass294.435
Monoisotopic Mass294.21949
SMILESCCCCC/C=C/C=C/C(=O)CCCCCCCC(=O)O
InChIInChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6+,14-11+
InChIKeyLUZSWWYKKLTDHU-SIGMCMEVSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
9-oxo-10E,12E-ODE (CHEBI:72843) has role metabolite (CHEBI:25212)
9-oxo-10E,12E-ODE (CHEBI:72843) is a enone (CHEBI:51689)
9-oxo-10E,12E-ODE (CHEBI:72843) is a oxooctadecadienoic acid (CHEBI:72812)
IUPAC Name 
(10E,12E)-9-oxooctadeca-10,12-dienoic acid
Synonym  Source
9-OxoODELIPID MAPS
Manual XrefsDatabases
LMFA02000251LIPID MAPS
Registry NumbersSources
Reaxys:7643217Reaxys