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CHEBI:140382 - (4Z,8E,10Z,13Z,16Z,19Z)-7-oxodocosahexaenoate

ChEBI IDCHEBI:140382
ChEBI Name(4Z,8E,10Z,13Z,16Z,19Z)-7-oxodocosahexaenoate
Stars
ASCII Name(4Z,8E,10Z,13Z,16Z,19Z)-7-oxodocosahexaenoate
DefinitionAn oxodocosahexaenoate that is the conjugate base of (4Z,8E,10Z,13Z,16Z,19Z)-7-oxodocosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified7 March 2018
SubmitterSteve
DownloadsMolfile
FormulaC22H29O3
Net Charge-1
Average Mass341.471
Monoisotopic Mass341.21222
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C=C\C(=O)C/C=C\CCC(=O)[O-]
InChIInChI=1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21(23)19-16-14-17-20-22(24)25/h3-4,6-7,9-10,12-16,18H,2,5,8,11,17,19-20H2,1H3,(H,24,25)/p-1/b4-3-,7-6-,10-9-,13-12-,16-14-,18-15+
InChIKeySITZAHBLAZBWRW-XJAVJPOHSA-M
ChEBI Ontology
Outgoing Relation(s)
(4Z,8E,10Z,13Z,16Z,19Z)-7-oxodocosahexaenoate (CHEBI:140382) is a oxodocosahexaenoate (CHEBI:133526)
(4Z,8E,10Z,13Z,16Z,19Z)-7-oxodocosahexaenoate (CHEBI:140382) is conjugate base of (4Z,8E,10Z,13Z,16Z,19Z)-7-oxodocosahexaenoic acid (CHEBI:140252)
Incoming Relation(s)
(4Z,8E,10Z,13Z,16Z,19Z)-7-oxodocosahexaenoic acid (CHEBI:140252) is conjugate acid of (4Z,8E,10Z,13Z,16Z,19Z)-7-oxodocosahexaenoate (CHEBI:140382)
IUPAC Name 
(4Z,8E,10Z,13Z,16Z,19Z)-7-oxodocosa-4,8,10,13,16,19-hexaenoate
Synonyms  Source
7-oxo-DHA(1−)ChEBI
(4Z,8E,10Z,13Z,16Z,19Z)-7-ketodocosahexaenoateChEBI
7-oxo-(4Z,8E,10Z,13Z,16Z,19Z)-docosahexaenoateChEBI
7-oxodocosahexaenoateChEBI