EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:183410 - UR-144 N-(5-Bromopentyl) analog

ChEBI IDCHEBI:183410
ChEBI NameUR-144 N-(5-Bromopentyl) analog
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28BrNO
Net Charge0
Average Mass390.365
Monoisotopic Mass389.13543
SMILESCC1(C)C(C(=O)c2cn(CCCCCBr)c3ccccc23)C1(C)C
InChIInChI=1S/C21H28BrNO/c1-20(2)19(21(20,3)4)18(24)16-14-23(13-9-5-8-12-22)17-11-7-6-10-15(16)17/h6-7,10-11,14,19H,5,8-9,12-13H2,1-4H3
InChIKeyHEWSXAZQMCDEMO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
brain (BTO:0000142) MetaboLights (MTBLS3637)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
ChEBI Ontology
Outgoing Relation(s)
UR-144 N-(5-Bromopentyl) analog (CHEBI:183410) is a indoles (CHEBI:24828)
IUPAC Name 
[1-(5-bromopentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
Manual XrefsDatabases
29341419ChemSpider
Registry NumbersSources
CAS:1628690-26-5ChemIDplus