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CHEBI:197116 - Isanic acid

ChEBI IDCHEBI:197116
ChEBI NameIsanic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H26O2
Net Charge0
Average Mass274.404
Monoisotopic Mass274.19328
SMILESC=CCCCCC#CC#CCCCCCCCC(=O)O
InChIInChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2H,1,3-6,11-17H2,(H,19,20)
InChIKeyOASRDXXKKGHDJZ-UHFFFAOYSA-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)
Isanic acid (CHEBI:197116) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
octadec-17-en-9,11-diynoic acid
Manual XrefsDatabases
4472111ChemSpider
LMFA01030558LIPID MAPS