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CHEBI:91035 - propyl linoleate

ChEBI IDCHEBI:91035
ChEBI Namepropyl linoleate
Stars
DefinitionA fatty acid ester resulting from the formal condensation of the carboxy group of linoleic acid with the hydroxy group of propanol.
Last Modified2 February 2016
SubmitterSteve
DownloadsMolfile
FormulaC21H38O2
Net Charge0
Average Mass322.533
Monoisotopic Mass322.28718
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCC
InChIInChI=1S/C21H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20-4-2/h8-9,11-12H,3-7,10,13-20H2,1-2H3/b9-8-,12-11-
InChIKeyAJAMRCUNWLZBDF-MURFETPASA-N
Species of MetaboliteComponentSourceComments
Nostoc commune var. flagelliforme (ncbitaxon:1306274) - MetaboLights (MTBLS138)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
propyl linoleate (CHEBI:91035) has functional parent linoleic acid (CHEBI:17351)
propyl linoleate (CHEBI:91035) has role bacterial metabolite (CHEBI:76969)
propyl linoleate (CHEBI:91035) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
propyl (9Z,12Z)-octadeca-9,12-dienoate
Synonyms  Source
linoleic acid propyl esterChEBI
propyl (Z,Z)-octadeca-9,12-dienoateChEBI
propyl (Z,Z)-9,12-octadecadienoateChEBI
propyl (9Z,12Z)-octadecadienoateChEBI
propyl cis,cis-9,12-octadecadienoateChEBI
Registry NumbersSources
Reaxys:2117597Reaxys