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CHEBI:15559 - 15-oxo-ETE

ChEBI IDCHEBI:15559
ChEBI Name15-oxo-ETE
Stars
DefinitionAn oxoicosatetraenoic acid having (5Z,8Z,11Z,13E) double bond stereochemistry, and an oxo group in position 15.
Secondary ChEBI IDsCHEBI:761, CHEBI:11326, CHEBI:19155
Last Modified16 June 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
SMILESCCCCCC(=O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+
InChIKeyYGJTUEISKATQSM-USWFWKISSA-N
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)
15-oxo-ETE (CHEBI:15559) has functional parent icosa-5,8,11,13-tetraenoic acid (CHEBI:36035)
15-oxo-ETE (CHEBI:15559) has role human metabolite (CHEBI:77746)
15-oxo-ETE (CHEBI:15559) is a oxoicosatetraenoic acid (CHEBI:61704)
15-oxo-ETE (CHEBI:15559) is conjugate acid of 15-oxo-ETE(1−) (CHEBI:57410)
Incoming Relation(s)
15-oxo-ETE-CoA (CHEBI:137446) has functional parent 15-oxo-ETE (CHEBI:15559)
15-oxo-ETE(1−) (CHEBI:57410) is conjugate base of 15-oxo-ETE (CHEBI:15559)
IUPAC Name 
(5Z,8Z,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid
Synonyms  Source
15-OxoETEKEGG COMPOUND
(5Z,8Z,11Z,13E)-15-Oxoicosa-5,8,11,13-tetraenoic acidKEGG COMPOUND
15-KeteChemIDplus
15-Oxo-ETELIPID MAPS
(5Z,8Z,11Z,13E)-15-oxoeicosa-5,8,11,13-tetraenoic acidChEBI
(5Z,8Z,11Z,13E)-15-ketoeicosa-5,8,11,13-tetraenoic acidChEBI
Manual XrefsDatabases
C04577KEGG COMPOUND
LMFA03060051LIPID MAPS
HMDB0010210HMDB
Registry NumbersSources
Reaxys:6217055Reaxys
CAS:81416-72-0KEGG COMPOUND
CAS:81416-72-0ChemIDplus
Citations