Mrv0541 02201510132D          

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M  END
> <ID>
CHEBI:84945

> <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.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:80367

> <SYNONYM>
Ethyl docosahexaenoate; ethyl all-cis-docosa-4,7,10,13,16,19-hexaenoate; DHA ethyl ester; Cervonic acid ethyl ester; (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester

> <IUPAC_NAME>
ethyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

> <FORMULA>
C24H36O2

> <MASS>
356.54140

> <MONOISOTOPIC_MASS>
356.27153

> <CHARGE>
0

> <SMILES>
CCOC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC

> <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

> <CAS_REGISTRY_NUMBER>
81926-94-5

> <REAXYS_REGISTRY_NUMBER>
4198448

> <CHEMIDPLUS>
81926-94-5

> <KEGG_COMPOUND_ACCESSION>
C16185

$$$$