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	ChemicalBook:CB2409023, eMolecules:17665709, eMolecules:29913747, eMolecules:35779400, eMolecules:36749934, eMolecules:1937450, eMolecules:24639358

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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