9-oxo-ODE (CHEBI:72842)

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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	No supplier information found for this compound.

Download	Molfile XML SDF

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Formula

C18H30O3

Net Charge

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 )

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

Registry Number	Type	Source
4318269	Reaxys Registry Number	Reaxys

Last Modified

01 March 2017