EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:186541 - 18-bromo-17E-octadecen-5,7,15-triynoic acid

ChEBI IDCHEBI:186541
ChEBI Name18-bromo-17E-octadecen-5,7,15-triynoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H21BrO2
Net Charge0
Average Mass349.268
Monoisotopic Mass348.07249
SMILESO=C(O)CCCC#CC#CCCCCCCC#C/C=C/Br
InChIInChI=1S/C18H21BrO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h15,17H,1-3,5,7,9,12,14,16H2,(H,20,21)/b17-15+
InChIKeyOXVNISBZKQCMOO-BMRADRMJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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-17E-octadecen-5,7,15-triynoic acid (CHEBI:186541) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(E)-18-bromooctadec-17-en-5,7,15-triynoic acid
Manual XrefsDatabases
4472379ChemSpider
LMFA01090031LIPID MAPS