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CHEBI:216988 - 18,18-dibromo-17-octadecene-5,7-diynoic acid methyl ester

ChEBI IDCHEBI:216988
ChEBI Name18,18-dibromo-17-octadecene-5,7-diynoic acid methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H24Br2O2
Net Charge0
Average Mass432.196
Monoisotopic Mass430.01430
SMILESO=C(O)CCCC#CC#CCCCCCCCCC=C(Br)Br
InChIInChI=1S/C18H24Br2O2/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h15H,1-3,5,7,9,11-14,16H2,(H,21,22)
InChIKeyCIBAGAXCIIWJSS-UHFFFAOYSA-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)
18,18-dibromo-17-octadecene-5,7-diynoic acid methyl ester (CHEBI:216988) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
18,18-dibromooctadec-17-en-5,7-diynoic acid
Manual XrefsDatabases
78435136ChemSpider