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

ChEBI IDCHEBI:84945
ChEBI Nameethyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate
Stars
ASCII Nameethyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate
DefinitionA 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.
Secondary ChEBI IDCHEBI:80367
Last Modified20 February 2015
SubmitterSteve
DownloadsMolfile
FormulaC24H36O2
Net Charge0
Average Mass356.550
Monoisotopic Mass356.27153
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC
InChIInChI=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-
InChIKeyITNKVODZACVXDS-YNUSHXQLSA-N
ChEBI Ontology
Outgoing Relation(s)
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  Source
DHA ethyl esterKEGG COMPOUND
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl esterKEGG COMPOUND
Ethyl docosahexaenoateChemIDplus
Cervonic acid ethyl esterChemIDplus
ethyl all-cis-docosa-4,7,10,13,16,19-hexaenoateChEBI
Manual XrefsDatabases
C16185KEGG COMPOUND
Registry NumbersSources
Reaxys:4198448Reaxys
CAS:81926-94-5ChemIDplus