EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:72844 - 15-oxoEDE

Default Structure
ChEBI IDCHEBI:72844
ChEBI Name15-oxoEDE
Stars
DefinitionAn oxoeicosadienoic acid that consists of 11Z,13E-oxoeicosadienoic acid with the oxo substituent located at position 15.
Last Modified17 April 2013
Submittermwilliams
DownloadsMolfile
FormulaC20H34O3
Net Charge0
Average Mass322.489
Monoisotopic Mass322.25079
SMILESCCCCCC(=O)/C=C/C=C\CCCCCCCCCC(=O)O
InChIInChI=1S/C20H34O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h9,11,14,17H,2-8,10,12-13,15-16,18H2,1H3,(H,22,23)/b11-9-,17-14+
InChIKeyQZCMHXPXGACWLJ-QWAPPMFBSA-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)
15-oxoEDE (CHEBI:72844) has functional parent 15-HEDE (CHEBI:72847)
15-oxoEDE (CHEBI:72844) has role metabolite (CHEBI:25212)
15-oxoEDE (CHEBI:72844) is a enone (CHEBI:51689)
15-oxoEDE (CHEBI:72844) is a OxoEDE (CHEBI:72846)
15-oxoEDE (CHEBI:72844) is conjugate acid of 15-oxo-EDE(1−) (CHEBI:134546)
Incoming Relation(s)
15-oxo-EDE(1−) (CHEBI:134546) is conjugate base of 15-oxoEDE (CHEBI:72844)
IUPAC Name 
(11Z,13E)-15-oxoicosa-11,13-dienoic acid
Synonyms  Source
15-KEDEChEBI
15-keto-11Z,13E-eicosadienoic acidChEBI
15-oxo-11Z,13E-eicosadienoic acidLIPID MAPS
Manual XrefsDatabases
LMFA01060073LIPID MAPS