CHEBI:84891 - ethyl (13Z)-docosenoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name ethyl (13Z)-docosenoate
ChEBI ID CHEBI:84891
ChEBI ASCII Name ethyl (13Z)-docosenoate
Definition A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of (13Z)-docosenoic acid with the hydroxy group of ethanol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C24H46O2
Net Charge 0
Average Mass 366.62080
Monoisotopic Mass 366.34978
InChI InChI=1S/C24H46O2/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/h11-12H,3-10,13-23H2,1-2H3/b12-11-
InChIKey WFZQLUSOXHIVKL-QXMHVHEDSA-N
SMILES CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC
ChEBI Ontology
Outgoing ethyl (13Z)-docosenoate (CHEBI:84891) has functional parent erucic acid (CHEBI:28792)
ethyl (13Z)-docosenoate (CHEBI:84891) is a long-chain fatty acid ethyl ester (CHEBI:13209)
IUPAC Name
ethyl (13Z)-docos-13-enoate
Synonyms Sources
Ethyl (Z)-docos-13-enoate ChemIDplus
Ethyl erucate ChemIDplus
Registry Numbers Types Sources
1728556 Reaxys Registry Number Reaxys
37910-77-3 CAS Registry Number ChemIDplus
Last Modified
18 February 2015