EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:180989 - cis-8,11,14-Eicosatrienoic acid methyl ester

ChEBI IDCHEBI:180989
ChEBI Namecis-8,11,14-Eicosatrienoic acid methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H36O2
Net Charge0
Average Mass320.517
Monoisotopic Mass320.27153
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC
InChIInChI=1S/C21H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h7-8,10-11,13-14H,3-6,9,12,15-20H2,1-2H3/b8-7-,11-10-,14-13-
InChIKeyQHATYOWJCAQINT-JPFHKJGASA-N
ChEBI Ontology
Outgoing Relation(s)
cis-8,11,14-Eicosatrienoic acid methyl ester (CHEBI:180989) is a fatty acid methyl ester (CHEBI:4986)
IUPAC Name 
methyl (8Z,11Z,14Z)-icosa-8,11,14-trienoate
Manual XrefsDatabases
4515485ChemSpider
Registry NumbersSources
CAS:21061-10-9ChemIDplus