Terminology Service for NFDI4Health
vernolate
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http://purl.obolibrary.org/obo/CHEBI_84026
A 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.
Term info
Label
vernolate
Synonyms
- (9Z)-11-(3-pentyloxiran-2-yl)undec-9-enoate
Subsets
3_STAR
charge
-1
formula
C18H31O3
has obo namespace
chebi_ontology
has related synonym
12,13-EpOME(1-), 12,13-epoxy-(9Z)-octadecenoate
id
CHEBI:84026
inchi
InChI=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-
inchikey
CCPPLLJZDQAOHD-FLIBITNWSA-M
mass
295.43750
monoisotopicmass
295.22787
smiles
CCCCCC1OC1C\C=C/CCCCCCCC([O-])=O