EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:75501 - 5-bromo-4-chloro-3-indolyl α-D-mannoside

ChEBI IDCHEBI:75501
ChEBI Name5-bromo-4-chloro-3-indolyl α-D-mannoside
Stars
ASCII Name5-bromo-4-chloro-3-indolyl alpha-D-mannoside
DefinitionAn indolyl carbohydrate that is the α-D-mannoside of indoxyl in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively
Last Modified29 October 2015
SubmitterSteve
DownloadsMolfile
FormulaC14H15BrClNO6
Net Charge0
Average Mass408.632
Monoisotopic Mass406.97713
SMILES[H][C@]1(Oc2cnc3ccc(Br)c(Cl)c23)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C14H15BrClNO6/c15-5-1-2-6-9(10(5)16)7(3-17-6)22-14-13(21)12(20)11(19)8(4-18)23-14/h1-3,8,11-14,17-21H,4H2/t8-,11-,12+,13+,14+/m1/s1
InChIKeyOPIFSICVWOWJMJ-HAAGFXOZSA-N
Roles Classification
Application:
chromogenic compound  Colourless, endogenous or exogenous pigment precursors that may be transformed by biological mechanisms into coloured compounds. They are used in biochemical assays and in diagnosis as indicators, particularly in the form of enzyme substrates.
ChEBI Ontology
Outgoing Relation(s)
5-bromo-4-chloro-3-indolyl α-D-mannoside (CHEBI:75501) has functional parent indoxyl (CHEBI:17840)
5-bromo-4-chloro-3-indolyl α-D-mannoside (CHEBI:75501) has role chromogenic compound (CHEBI:75050)
5-bromo-4-chloro-3-indolyl α-D-mannoside (CHEBI:75501) is a D-aldohexose derivative (CHEBI:63387)
5-bromo-4-chloro-3-indolyl α-D-mannoside (CHEBI:75501) is a indolyl carbohydrate (CHEBI:24821)
5-bromo-4-chloro-3-indolyl α-D-mannoside (CHEBI:75501) is a organobromine compound (CHEBI:37141)
5-bromo-4-chloro-3-indolyl α-D-mannoside (CHEBI:75501) is a organochlorine compound (CHEBI:36683)
5-bromo-4-chloro-3-indolyl α-D-mannoside (CHEBI:75501) is a α-D-mannoside (CHEBI:27535)
IUPAC Name 
5-bromo-4-chloro-1H-indol-3-yl α-D-mannopyranoside
Synonym  Source
5-bromo-4-chloroindoxyl α-D-mannosideChEBI
Manual XrefsDatabases
DB04806DrugBank