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CHEBI:140316 - (4Z,7Z,10Z,13Z,15E,19Z)-17-oxodocosahexaenoate

ChEBI IDCHEBI:140316
ChEBI Name(4Z,7Z,10Z,13Z,15E,19Z)-17-oxodocosahexaenoate
Stars
ASCII Name(4Z,7Z,10Z,13Z,15E,19Z)-17-oxodocosahexaenoate
DefinitionAn oxodocosahexaenoate that is the conjugate base of (4Z,7Z,10Z,13Z,15E,19Z)-17-oxodocosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified2 March 2018
SubmitterSteve
DownloadsMolfile
FormulaC22H29O3
Net Charge-1
Average Mass341.471
Monoisotopic Mass341.21222
SMILESCC/C=C\CC(=O)/C=C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)[O-]
InChIInChI=1S/C22H30O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,5-8,11-16,19H,2,4,9-10,17-18,20H2,1H3,(H,24,25)/p-1/b7-5-,8-6-,13-11-,14-12-,15-3-,19-16+
InChIKeyQCEBQMMZCFADMF-VIIQGJSXSA-M
ChEBI Ontology
Outgoing Relation(s)
(4Z,7Z,10Z,13Z,15E,19Z)-17-oxodocosahexaenoate (CHEBI:140316) is a oxodocosahexaenoate (CHEBI:133526)
(4Z,7Z,10Z,13Z,15E,19Z)-17-oxodocosahexaenoate (CHEBI:140316) is conjugate base of (4Z,7Z,10Z,13Z,15E,19Z)-17-oxodocosahexaenoic acid (CHEBI:140238)
Incoming Relation(s)
(4Z,7Z,10Z,13Z,15E,19Z)-17-oxodocosahexaenoic acid (CHEBI:140238) is conjugate acid of (4Z,7Z,10Z,13Z,15E,19Z)-17-oxodocosahexaenoate (CHEBI:140316)
IUPAC Name 
(4Z,7Z,10Z,13Z,15E,19Z)-17-oxodocosa-4,7,10,13,15,19-hexaenoate
Synonyms  Source
17-oxo-DHA(1−)ChEBI
17-oxo-(4Z,7Z,10Z,13Z,15E,19Z)-docosahexaenoateChEBI
17-oxodocosahexaenoateChEBI