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CHEBI:165494 - trans-Brassidic acid

ChEBI IDCHEBI:165494
ChEBI Nametrans-Brassidic acid
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FormulaC22H42O2
Net Charge0
Average Mass338.576
Monoisotopic Mass338.31848
SMILESCCCCCCCC/C=C/CCCCCCCCCCCC(=O)O
InChIInChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9+
InChIKeyDPUOLQHDNGRHBS-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)
trans-Brassidic acid (CHEBI:165494) is a very long-chain fatty acid (CHEBI:27283)
IUPAC Name 
(E)-docos-13-enoic acid
Manual XrefsDatabases
LMFA01030090LIPID MAPS
4445899ChemSpider
Registry NumbersSources
CAS:506-33-2ChemIDplus