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CHEBI:196172 - 9E-Octadecen-12-ynoic acid

ChEBI IDCHEBI:196172
ChEBI Name9E-Octadecen-12-ynoic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30O2
Net Charge0
Average Mass278.436
Monoisotopic Mass278.22458
SMILESCCCCCC#CC/C=C/CCCCCCCC(=O)O
InChIInChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b10-9+
InChIKeySAOSKFBYQJLQOS-MDZDMXLPSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
9E-Octadecen-12-ynoic acid (CHEBI:196172) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(E)-octadec-9-en-12-ynoic acid
Manual XrefsDatabases
4816048ChemSpider
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