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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 9-oxo-10E,12E-ODE
ChEBI ID CHEBI:72843
ChEBI ASCII Name 9-oxo-10E,12E-ODE
Definition An oxooctadecadienoic acid that consists of 10E,12E-octadecadienoic acid with the oxo substituent located at position 9.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000059211766
Download Molfile XML SDF
Formula C18H30O3
Net Charge 0
Average Mass 294.42900
Monoisotopic Mass 294.21949
InChI InChI=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+
InChIKey LUZSWWYKKLTDHU-SIGMCMEVSA-N
SMILES CCCCC\C=C\C=C\C(=O)CCCCCCCC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via oxooctadecadienoic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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-OxoODE LIPID MAPS
Manual Xref Database
LMFA02000251 LIPID MAPS
View more database links
Registry Number Type Source
7643217 Reaxys Registry Number Reaxys
Last Modified
17 April 2013