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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (4Z,7Z,10Z,13Z,15E,19Z)-17-oxodocosahexaenoate
ChEBI ID CHEBI:140316
ChEBI ASCII Name (4Z,7Z,10Z,13Z,15E,19Z)-17-oxodocosahexaenoate
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C22H29O3
Net Charge -1
Average Mass 341.465
Monoisotopic Mass 341.21222
InChI InChI=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+
InChIKey QCEBQMMZCFADMF-VIIQGJSXSA-M
SMILES C(C([O-])=O)C/C=C\C/C=C\C/C=C\C/C=C\C=C\C(C/C=C\CC)=O
ChEBI Ontology
Outgoing (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 (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 Sources
17-oxo-(4Z,7Z,10Z,13Z,15E,19Z)-docosahexaenoate ChEBI
17-oxo-DHA(1−) ChEBI
17-oxodocosahexaenoate ChEBI
Last Modified
02 March 2018