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CHEBI:197030 - Dehydrocrepenynic acid

ChEBI IDCHEBI:197030
ChEBI NameDehydrocrepenynic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H28O2
Net Charge0
Average Mass276.420
Monoisotopic Mass276.20893
SMILESCCC/C=C\C#CC/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-5,9-10H,2-3,8,11-17H2,1H3,(H,19,20)/b5-4-,10-9-
InChIKeyHJYQCZVMQAYTMN-ACHWKMRWSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Dehydrocrepenynic acid (CHEBI:197030) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(9Z,14Z)-octadeca-9,14-dien-12-ynoic acid
Manual XrefsDatabases
20153684ChemSpider
LMFA01031062LIPID MAPS