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CHEBI:180171 - Catalpic acid

ChEBI IDCHEBI:180171
ChEBI NameCatalpic acid
Stars
Last Modified24 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30O2
Net Charge0
Average Mass278.436
Monoisotopic Mass278.22458
SMILESCCCC/C=C\C=C\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/h5-10H,2-4,11-17H2,1H3,(H,19,20)/b6-5-,8-7+,10-9+
InChIKeyCUXYLFPMQMFGPL-WJTNUVGISA-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)
Catalpic acid (CHEBI:180171) is a octadecatrienoic acid (CHEBI:25633)
IUPAC Name 
(9E,11E,13Z)-octadeca-9,11,13-trienoic acid
Manual XrefsDatabases
4532629ChemSpider
LMFA01030883LIPID MAPS