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CHEBI:194416 - (−)-vernolate

ChEBI IDCHEBI:194416
ChEBI Name(−)-vernolate
Stars
ASCII Name(-)-vernolate
DefinitionA vernolate that is the conjugate base of (−)-vernolic acid, resulting from the 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
SMILESCCCCC[C@@H]1O[C@@H]1C/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-/t16-,17+/m0/s1
InChIKeyCCPPLLJZDQAOHD-BEBBCNLGSA-M
ChEBI Ontology
Outgoing Relation(s)
(−)-vernolate (CHEBI:194416) is a vernolate (CHEBI:84026)
(−)-vernolate (CHEBI:194416) is conjugate base of (−)-vernolic acid (CHEBI:38300)
Incoming Relation(s)
(−)-vernolic acid (CHEBI:38300) is conjugate acid of (−)-vernolate (CHEBI:194416)
IUPAC Name 
(9Z)-11-[(2R,3S)-3-pentyloxiran-2-yl]undec-9-enoate
Synonyms  Source
(−)-vernolic acid anionSUBMITTER
12R(13S)-epoxy-(9Z)-octadecenoateSUBMITTER
(−)-vernolic acid(1−)ChEBI
(−)-12(R),13(S)-vernolateChEBI
(9Z)-(12R,13S)-12,13-epoxyoctadecenoateChEBI
UniProt Name  Source
(12R,13S)-epoxy-(9Z)-octadecenoateUniProt
Citations