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CHEBI:38299 - vernolic acid

ChEBI IDCHEBI:38299
ChEBI Namevernolic acid
Stars
DefinitionA monounsaturated epoxy fatty acid composed of cis-9-octadecenoic acid having a 12,13-epoxy group.
Last Modified23 October 2015
SubmitterMarcus Ennis
DownloadsMolfile

FormulaC18H32O3
Net Charge0
Average Mass296.451
Monoisotopic Mass296.23514
SMILESCCCCCC1OC1C/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8-
InChIKeyCCPPLLJZDQAOHD-FLIBITNWSA-N

Species of MetaboliteComponentSourceComments
Vernonia galamensis (ncbitaxon:83960) seed (BTO:0001226) PubMed (9930408)
Roles Classification

ChEBI Ontology
IUPAC Name 
(9Z)-11-(3-pentyloxiran-2-yl)undec-9-enoic acid
Synonyms  Source
(9Z)-12,13-epoxyoctadecenoic acidChEBI
12,13-epoxy-9(Z)-octadecenoic acidChEBI
12,13-cis-epoxyoctadecenoic acidChEBI
12,13-epoxy-cis-9-octadecenoic acidChEBI
cis-12,13-epoxy-9-octadecenoic acidChEBI
12,13-monoepoxy-cis-9-octadecenoic acidChEBI
Manual XrefsDatabases
LMFA02000038LIPID MAPS
Registry NumbersSources
Reaxys:1430549Reaxys
Citations