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CHEBI:165495 - Ximenynic acid

ChEBI IDCHEBI:165495
ChEBI NameXimenynic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30O2
Net Charge0
Average Mass278.436
Monoisotopic Mass278.22458
SMILESCCCCCC/C=C/C#CCCCCCCCC(=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/h7-8H,2-6,11-17H2,1H3,(H,19,20)/b8-7+
InChIKeyVENIIVIRETXKSV-BQYQJAHWSA-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)
Ximenynic acid (CHEBI:165495) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(E)-octadec-11-en-9-ynoic acid
Manual XrefsDatabases
4472113ChemSpider
LMFA01030560LIPID MAPS
Registry NumbersSources
CAS:557-58-4ChemIDplus