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CHEBI:180524 - 8,11-Tridecadienoic acid, 13-(3-pentyl-2-oxiranyl)-, methyl ester, (8Z,11Z)-

ChEBI IDCHEBI:180524
ChEBI Name8,11-Tridecadienoic acid, 13-(3-pentyl-2-oxiranyl)-, methyl ester, (8Z,11Z)-
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H36O3
Net Charge0
Average Mass336.516
Monoisotopic Mass336.26645
SMILESCCCCC[C@H]1O[C@H]1C/C=C\C/C=C\CCCCCCC(=O)OC
InChIInChI=1S/C21H36O3/c1-3-4-13-16-19-20(24-19)17-14-11-9-7-5-6-8-10-12-15-18-21(22)23-2/h5,7,11,14,19-20H,3-4,6,8-10,12-13,15-18H2,1-2H3/b7-5-,14-11-/t19-,20+/m1/s1
InChIKeyFZUFCVATWQINBH-PYQKRGIJSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS3233)
ChEBI Ontology
Outgoing Relation(s)
8,11-Tridecadienoic acid, 13-(3-pentyl-2-oxiranyl)-, methyl ester, (8Z,11Z)- (CHEBI:180524) is a fatty acid methyl ester (CHEBI:4986)
IUPAC Name 
methyl (8Z,11Z)-13-[(2S,3R)-3-pentyloxiran-2-yl]trideca-8,11-dienoate
Manual XrefsDatabases
29341357ChemSpider