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CHEBI:140236 - (4Z,7Z,10Z,14E,16Z,19Z)-13-oxodocosahexaenoate

ChEBI IDCHEBI:140236
ChEBI Name(4Z,7Z,10Z,14E,16Z,19Z)-13-oxodocosahexaenoate
Stars
ASCII Name(4Z,7Z,10Z,14E,16Z,19Z)-13-oxodocosahexaenoate
DefinitionAn oxodocosahexaenoate that is the conjugate base of (4Z,7Z,10Z,14E,16Z,19Z)-13-oxodocosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified22 February 2018
SubmitterSteve
DownloadsMolfile
FormulaC22H29O3
Net Charge-1
Average Mass341.471
Monoisotopic Mass341.21222
SMILESCC/C=C\C/C=C\C=C\C(=O)C/C=C\C/C=C\C/C=C\CCC(=O)[O-]
InChIInChI=1S/C22H30O3/c1-2-3-4-5-9-12-15-18-21(23)19-16-13-10-7-6-8-11-14-17-20-22(24)25/h3-4,6-7,9,11-16,18H,2,5,8,10,17,19-20H2,1H3,(H,24,25)/p-1/b4-3-,7-6-,12-9-,14-11-,16-13-,18-15+
InChIKeyJGZAOFOLFDPNTJ-SKSHMZPZSA-M
ChEBI Ontology
Outgoing Relation(s)
(4Z,7Z,10Z,14E,16Z,19Z)-13-oxodocosahexaenoate (CHEBI:140236) is a oxodocosahexaenoate (CHEBI:133526)
(4Z,7Z,10Z,14E,16Z,19Z)-13-oxodocosahexaenoate (CHEBI:140236) is conjugate base of (4Z,7Z,10Z,14E,16Z,19Z)-13-oxodocosahexaenoic acid (CHEBI:140204)
Incoming Relation(s)
(4Z,7Z,10Z,14E,16Z,19Z)-13-oxodocosahexaenoic acid (CHEBI:140204) is conjugate acid of (4Z,7Z,10Z,14E,16Z,19Z)-13-oxodocosahexaenoate (CHEBI:140236)
IUPAC Name 
(4Z,7Z,10Z,14E,16Z,19Z)-13-oxodocosa-4,7,10,14,16,19-hexaenoate
Synonyms  Source
13-oxo-DHA(1−)ChEBI
13-oxo-(4Z,7Z,10Z,14E,16Z,19Z)-docosahexaenoateChEBI
(4Z,7Z,10Z,14E,16Z,19Z)-13-ketodocosahexaenoateChEBI