CHEBI:84945 - ethyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name ethyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate
ChEBI ID CHEBI:84945
ChEBI ASCII Name ethyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate
Definition A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoic acid with the hydroxy group of ethanol.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:80367
Supplier Information
Download Molfile XML SDF
Formula C24H36O2
Net Charge 0
Average Mass 356.54140
Monoisotopic Mass 356.27153
InChI InChI=1S/C24H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2/h5-6,8-9,11-12,14-15,17-18,20-21H,3-4,7,10,13,16,19,22-23H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-
InChIKey ITNKVODZACVXDS-YNUSHXQLSA-N
SMILES CCOC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
ChEBI Ontology
Outgoing ethyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate (CHEBI:84945) has functional parent all-cis-docosa-4,7,10,13,16,19-hexaenoic acid (CHEBI:28125)
ethyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate (CHEBI:84945) is a long-chain fatty acid ethyl ester (CHEBI:13209)
IUPAC Name
ethyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Synonyms Sources
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester KEGG COMPOUND
Cervonic acid ethyl ester ChemIDplus
DHA ethyl ester KEGG COMPOUND
ethyl all-cis-docosa-4,7,10,13,16,19-hexaenoate ChEBI
Ethyl docosahexaenoate ChemIDplus
Manual Xref Database
C16185 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
4198448 Reaxys Registry Number Reaxys
81926-94-5 CAS Registry Number ChemIDplus
Last Modified
20 February 2015