CHEBI:226947 - 18-bromooctadeca-5,7,17-triynoic acid

ChEBI IDCHEBI:226947
ChEBI Name18-bromooctadeca-5,7,17-triynoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H23BrO2
Net Charge0
Average Mass351.284
Monoisotopic Mass350.08814
SMILESO=C(O)CCCC#CC#CCCCCCCCCC#CBr
InChIInChI=1S/C18H23BrO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-3,5,7,9,11-14,16H2,(H,20,21)
InChIKeyPMILLCBGPQOPQV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Acarospora (ncbitaxon:88747) - DOI (10.1016/s0031-9422(98)00499-3)
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-bromooctadeca-5,7,17-triynoic acid (CHEBI:226947) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
18-bromooctadeca-5,7,17-triynoic acid
Manual XrefsDatabases
78434944ChemSpider
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