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CHEBI:84942 - ethyl cis-vaccenate

ChEBI IDCHEBI:84942
ChEBI Nameethyl cis-vaccenate
Stars
ASCII Nameethyl cis-vaccenate
DefinitionA long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of cis-vaccenic acid with the hydroxy group of ethanol.
Last Modified19 February 2015
Submitternamrata
DownloadsMolfile
FormulaC20H38O2
Net Charge0
Average Mass310.522
Monoisotopic Mass310.28718
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)OCC
InChIInChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h9-10H,3-8,11-19H2,1-2H3/b10-9-
InChIKeyXZMSLYSQJNCDQH-KTKRTIGZSA-N
ChEBI Ontology
Outgoing Relation(s)
ethyl cis-vaccenate (CHEBI:84942) has functional parent cis-vaccenic acid (CHEBI:50464)
ethyl cis-vaccenate (CHEBI:84942) is a long-chain fatty acid ethyl ester (CHEBI:13209)
IUPAC Name 
ethyl (11Z)-octadec-11-enoate
Registry NumbersSources
Reaxys:2971589Reaxys