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CHEBI:180176 - beta-calendic acid

ChEBI IDCHEBI:180176
ChEBI Namebeta-calendic acid
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Last Modified24 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30O2
Net Charge0
Average Mass278.436
Monoisotopic Mass278.22458
SMILESCCCCC/C=C/C=C/C=C/CCCCCCC(=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/h6-11H,2-5,12-17H2,1H3,(H,19,20)/b7-6+,9-8+,11-10+
InChIKeyDQGMPXYVZZCNDQ-OBWVEWQSSA-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)
beta-calendic acid (CHEBI:180176) is a octadecatrienoic acid (CHEBI:25633)
IUPAC Name 
(8E,10E,12E)-octadeca-8,10,12-trienoic acid
Manual XrefsDatabases
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