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CHEBI:90776 - 11-oxo-ETE

ChEBI IDCHEBI:90776
ChEBI Name11-oxo-ETE
Stars
DefinitionAn oxoicosatetraenoic acid that is (5Z,8Z,12E,14Z)-icosatetraenoic acid bearing a single oxo substituent located at position 12.
Last Modified16 June 2017
SubmitterSteve
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
SMILESCCCCC/C=C\C=C\C(=O)C/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C20H30O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h6-7,9-11,13-14,16H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b9-6-,10-7-,14-11-,16-13+
InChIKeySFIBXKABWRNYKQ-RLZWZWKOSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (23945567)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
11-oxo-ETE (CHEBI:90776) has functional parent icosa-5,8,12,14-tetraenoic acid (CHEBI:36302)
11-oxo-ETE (CHEBI:90776) has role human metabolite (CHEBI:77746)
11-oxo-ETE (CHEBI:90776) is a enone (CHEBI:51689)
11-oxo-ETE (CHEBI:90776) is a oxoicosatetraenoic acid (CHEBI:61704)
11-oxo-ETE (CHEBI:90776) is conjugate acid of 11-oxo-ETE(1−) (CHEBI:90697)
Incoming Relation(s)
11-oxo-ETE-CoA (CHEBI:137445) has functional parent 11-oxo-ETE (CHEBI:90776)
11-oxo-ETE(1−) (CHEBI:90697) is conjugate base of 11-oxo-ETE (CHEBI:90776)
IUPAC Name 
(5Z,8Z,12E,14Z)-11-oxoicosa-5,8,12,14-tetraenoic acid
Synonyms  Source
(5Z,8Z,12E,14Z)-11-oxoicosatetraenoic acidChEBI
(5Z,8Z,12E,14Z)-11-oxoeicosatetraenoic acidChEBI
11-KETEChEBI
Registry NumbersSources
Reaxys:19190344Reaxys
Citations