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CHEBI:90338 - 5-bromo-4-chloro-3-indolyl N-acetyl-β-D-glucosaminide

ChEBI IDCHEBI:90338
ChEBI Name5-bromo-4-chloro-3-indolyl N-acetyl-β-D-glucosaminide
Stars
ASCII Name5-bromo-4-chloro-3-indolyl N-acetyl-beta-D-glucosaminide
DefinitionAn indolyl carbohydrate that is the N-acetyl-β-D-glucosaminide of indoxyl in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively.
Last Modified12 November 2015
SubmitterSteve
DownloadsMolfile
FormulaC16H18BrClN2O6
Net Charge0
Average Mass449.685
Monoisotopic Mass448.00368
SMILES[H][C@@]1(Oc2cnc3ccc(Br)c(Cl)c23)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C16H18BrClN2O6/c1-6(22)20-13-15(24)14(23)10(5-21)26-16(13)25-9-4-19-8-3-2-7(17)12(18)11(8)9/h2-4,10,13-16,19,21,23-24H,5H2,1H3,(H,20,22)/t10-,13-,14-,15-,16-/m1/s1
InChIKeySUWPNTKTZYIFQT-XZINFULNSA-N
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
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 N-acetyl-β-D-glucosaminide (CHEBI:90338) has functional parent indoxyl (CHEBI:17840)
5-bromo-4-chloro-3-indolyl N-acetyl-β-D-glucosaminide (CHEBI:90338) has role chromogenic compound (CHEBI:75050)
5-bromo-4-chloro-3-indolyl N-acetyl-β-D-glucosaminide (CHEBI:90338) is a N-acetyl-β-D-glucosaminide (CHEBI:61631)
5-bromo-4-chloro-3-indolyl N-acetyl-β-D-glucosaminide (CHEBI:90338) is a bromoindole (CHEBI:52514)
5-bromo-4-chloro-3-indolyl N-acetyl-β-D-glucosaminide (CHEBI:90338) is a chloroindole (CHEBI:52508)
5-bromo-4-chloro-3-indolyl N-acetyl-β-D-glucosaminide (CHEBI:90338) is a indolyl carbohydrate (CHEBI:24821)
IUPAC Name 
5-bromo-4-chloro-1H-indol-3-yl 2-acetamido-2-deoxy-β-D-glucopyranoside
Synonym  Source
5-bromo-4-chloroindoxyl N-acetyl-β-D-glucosaminideChEBI
Registry NumbersSources
Reaxys:18540961Reaxys