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CHEBI:204302 - 6-bromo-(5E,15Z)-octadeca-5,15-diene-11,13,17-triynoic acid methyl ester

ChEBI IDCHEBI:204302
ChEBI Name6-bromo-(5E,15Z)-octadeca-5,15-diene-11,13,17-triynoic acid methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H19BrO2
Net Charge0
Average Mass347.252
Monoisotopic Mass346.05684
SMILESC#C/C=C\C#CC#CCCCC/C(Br)=C\CCCC(=O)O
InChIInChI=1S/C18H19BrO2/c1-2-3-4-5-6-7-8-9-10-11-14-17(19)15-12-13-16-18(20)21/h1,3-4,15H,9-14,16H2,(H,20,21)/b4-3-,17-15+
InChIKeyIQBQVQQXKHQANW-BNXREGJKSA-N
Species of MetaboliteComponentSourceComments
Leptogium saturninum (ncbitaxon:243206) - DOI (10.1016/s0031-9422(99)00034-5)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
6-bromo-(5E,15Z)-octadeca-5,15-diene-11,13,17-triynoic acid methyl ester (CHEBI:204302) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(5E,15Z)-6-bromooctadeca-5,15-dien-11,13,17-triynoic acid
Manual XrefsDatabases
78434792ChemSpider