CHEBI:165494 - trans-Brassidic acid

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name trans-Brassidic acid
ChEBI ID CHEBI:165494
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H42O2
Net Charge 0
Average Mass 338.576
Monoisotopic Mass 338.31848
InChI InChI=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+
InChIKey DPUOLQHDNGRHBS-MDZDMXLPSA-N
SMILES OC(=O)CCCCCCCCCCC/C=C/CCCCCCCC
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing trans-Brassidic acid (CHEBI:165494) is a very long-chain fatty acid (CHEBI:27283)
IUPAC Name
(E)-docos-13-enoic acid
Manual Xrefs Databases
4445899 ChemSpider
LMFA01030090 LIPID MAPS
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Registry Number Type Source
506-33-2 CAS Registry Number ChemIDplus