9-oxo-ODE (CHEBI:72842)

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CHEBI:72842 - 9-oxo-ODE

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ChEBI ID	CHEBI:72842
ChEBI Name	9-oxo-ODE
Stars
Definition	An oxooctadecadienoic acid that consists of (10E,12Z)-octadecadienoic acid with the oxo substituent located at position 9.
Last Modified	1 March 2017
Submitter	mwilliams
Downloads	Molfile

Formula	C18H30O3
Net Charge	0
Average Mass	294.435
Monoisotopic Mass	294.21949
SMILES	CCCCC/C=C\C=C\C(=O)CCCCCCCC(=O)O
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

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-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 9-oxo-10,12-octadecadienoic acid (CHEBI:746952)
	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 Relation(s)
Incoming Relation(s)	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	Source
9-KODE	KEGG COMPOUND
9-oxoODE	ChEBI
9-oxo-10E,12Z-octadecadienoic acid	LIPID MAPS
9-keto-10E,12Z-octadecadienoic acid	ChEBI
(10E,12Z)-9-Oxooctadeca-10,12-dienoic acid	KEGG COMPOUND
(10E,12Z)9-oxo-ODE	ChEBI

Manual Xrefs	Databases
LMFA02000274	LIPID MAPS
HMDB0004669	HMDB
C14766	KEGG COMPOUND

Registry Numbers	Sources
Reaxys:4318269	Reaxys