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CHEBI:84026 - vernolate

ChEBI IDCHEBI:84026
ChEBI Namevernolate
Stars
DefinitionA monounsaturated fatty acid anion that is the conjugate base of vernolic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified9 March 2023
Submitterlaimo
DownloadsMolfile
FormulaC18H31O3
Net Charge-1
Average Mass295.443
Monoisotopic Mass295.22787
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)/p-1/b11-8-
InChIKeyCCPPLLJZDQAOHD-FLIBITNWSA-M
ChEBI Ontology
Outgoing Relation(s)
vernolate (CHEBI:84026) is a epoxy fatty acid anion (CHEBI:190711)
vernolate (CHEBI:84026) is a epoxyoctadecenoate (CHEBI:133586)
vernolate (CHEBI:84026) is a long-chain fatty acid anion (CHEBI:57560)
vernolate (CHEBI:84026) is a monounsaturated fatty acid anion (CHEBI:82680)
vernolate (CHEBI:84026) is conjugate base of vernolic acid (CHEBI:38299)
Incoming Relation(s)
12,13-epoxy-18-hydroxy-(9Z)-octadecenoate (CHEBI:137469) has functional parent vernolate (CHEBI:84026)
(−)-vernolate (CHEBI:194416) is a vernolate (CHEBI:84026)
vernolic acid (CHEBI:38299) is conjugate acid of vernolate (CHEBI:84026)
IUPAC Name 
(9Z)-11-(3-pentyloxiran-2-yl)undec-9-enoate
Synonym  Source
12,13-EpOME(1−)SUBMITTER
UniProt Name  Source
12,13-epoxy-(9Z)-octadecenoateUniProt