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CHEBI:220360 - 18-bromo-(5E,17Z)-octadeca-5,7-diene-15-ynoic acid methyl ester

ChEBI IDCHEBI:220360
ChEBI Name18-bromo-(5E,17Z)-octadeca-5,7-diene-15-ynoic acid methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H27BrO2
Net Charge0
Average Mass355.316
Monoisotopic Mass354.11944
SMILESO=C(O)CCC/C=C/CCCCCCCCC#C/C=C\Br
InChIInChI=1S/C18H27BrO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h8,10,15,17H,1-7,9,12,14,16H2,(H,20,21)/b10-8+,17-15-
InChIKeyGLVCRWQIQQDOLB-SWSLMZJYSA-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)
18-bromo-(5E,17Z)-octadeca-5,7-diene-15-ynoic acid methyl ester (CHEBI:220360) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(5E,17Z)-18-bromooctadeca-5,17-dien-15-ynoic acid
Manual XrefsDatabases
78435028ChemSpider