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CHEBI:75512 - 5-bromo-4-chloro-3-indolyl β-D-glucosaminide

ChEBI IDCHEBI:75512
ChEBI Name5-bromo-4-chloro-3-indolyl β-D-glucosaminide
Stars
ASCII Name5-bromo-4-chloro-3-indolyl beta-D-glucosaminide
DefinitionAn indolyl carbohydrate that is the 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
FormulaC14H16BrClN2O5
Net Charge0
Average Mass407.648
Monoisotopic Mass405.99311
SMILES[H][C@@]1(Oc2cnc3ccc(Br)c(Cl)c23)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N
InChIInChI=1S/C14H16BrClN2O5/c15-5-1-2-6-9(10(5)16)7(3-18-6)22-14-11(17)13(21)12(20)8(4-19)23-14/h1-3,8,11-14,18-21H,4,17H2/t8-,11-,12-,13-,14-/m1/s1
InChIKeyPFLXIUOIVYGOQQ-LXOGICJWSA-N
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
5-bromo-4-chloro-3-indolyl β-D-glucosaminide (CHEBI:75512) has functional parent indoxyl (CHEBI:17840)
5-bromo-4-chloro-3-indolyl β-D-glucosaminide (CHEBI:75512) is a D-glucosaminide (CHEBI:35373)
5-bromo-4-chloro-3-indolyl β-D-glucosaminide (CHEBI:75512) is a bromoindole (CHEBI:52514)
5-bromo-4-chloro-3-indolyl β-D-glucosaminide (CHEBI:75512) is a chloroindole (CHEBI:52508)
5-bromo-4-chloro-3-indolyl β-D-glucosaminide (CHEBI:75512) is a indolyl carbohydrate (CHEBI:24821)
5-bromo-4-chloro-3-indolyl β-D-glucosaminide (CHEBI:75512) is a monosaccharide derivative (CHEBI:63367)
IUPAC Name 
5-bromo-4-chloro-1H-indol-3-yl 2-amino-2-deoxy-β-D-glucopyranoside
Synonym  Source
5-bromo-4-chloroindoxyl β-D-glucosaminideChEBI