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CHEBI:27706 - (+)-vernolic acid

ChEBI IDCHEBI:27706
ChEBI Name(+)-vernolic acid
Stars
DefinitionAn optically active form of vernolic acid having (12S,13R)-configuration.
Secondary ChEBI IDsCHEBI:9964, CHEBI:27282
Last Modified17 March 2011
DownloadsMolfile
FormulaC18H32O3
Net Charge0
Average Mass296.451
Monoisotopic Mass296.23514
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)/b11-8-/t16-,17+/m1/s1
InChIKeyCCPPLLJZDQAOHD-GJGKEFFFSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(+)-vernolic acid (CHEBI:27706) is a oxylipin (CHEBI:61121)
(+)-vernolic acid (CHEBI:27706) is a vernolic acid (CHEBI:38299)
(+)-vernolic acid (CHEBI:27706) is enantiomer of (−)-vernolic acid (CHEBI:38300)
Incoming Relation(s)
(−)-vernolic acid (CHEBI:38300) is enantiomer of (+)-vernolic acid (CHEBI:27706)
IUPAC Name 
(9Z)-11-[(2S,3R)-3-pentyloxiran-2-yl]undec-9-enoic acid
Synonyms  Source
Vernolic acidKEGG COMPOUND
cis-12,13-Epoxy-cis-9-octadecenoic acidKEGG COMPOUND
cis-12-Epoxyoctadeca-cis-9-enoic acidChemIDplus
Vernolic acid (+)-formChemIDplus
(9Z)-(12S,13R)-12,13-Epoxyoctadecenoic acidKEGG COMPOUND
cis-12S,13R,-ep, 9c-18:1ChEBI
Manual XrefsDatabases
C08368KEGG COMPOUND
LMFA01070017LIPID MAPS
Registry NumbersSources
Reaxys:86880Reaxys
CAS:503-07-1KEGG COMPOUND
CAS:503-07-1ChemIDplus
Citations