CHEBI:72842 - 9-oxo-ODE

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 9-oxo-ODE
ChEBI ID CHEBI:72842
Definition An oxooctadecadienoic acid that consists of (10E,12Z)-octadecadienoic acid with the oxo substituent located at position 9.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C18H30O3
Net Charge 0
Average Mass 294.430
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-ZJHFMPGASA-N
SMILES C(=C\C=C\C(CCCCCCCC(O)=O)=O)\CCCCC
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-ODE (CHEBI:72842) has functional parent 9-HODE (CHEBI:72651)
9-oxo-ODE (CHEBI:72842) has role metabolite (CHEBI:25212)
9-oxo-ODE (CHEBI:72842) is a enone (CHEBI:51689)
9-oxo-ODE (CHEBI:72842) is a oxooctadecadienoic acid (CHEBI:72812)
9-oxo-ODE (CHEBI:72842) is conjugate acid of 9-oxo-ODE(1−) (CHEBI:133845)
Incoming 9-oxo-ODE(1−) (CHEBI:133845) is conjugate base of 9-oxo-ODE (CHEBI:72842)
IUPAC Name
(10E,12Z)-9-oxooctadeca-10,12-dienoic acid
Synonyms Sources
(10E,12Z)-9-Oxooctadeca-10,12-dienoic acid KEGG COMPOUND
(10E,12Z)9-oxo-ODE ChEBI
(10E,12Z)9-oxoODE ChEBI
9-keto-10E,12Z-octadecadienoic acid ChEBI
9-KODE KEGG COMPOUND
9-oxo-10E,12Z-octadecadienoic acid LIPID MAPS
9-oxoODE ChEBI
Manual Xrefs Databases
C14766 KEGG COMPOUND
HMDB0004669 HMDB
LMFA02000274 LIPID MAPS
View more database links
Registry Number Type Source
4318269 Reaxys Registry Number Reaxys
Last Modified
01 March 2017