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

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ChEBI Name 5-bromo-4-chloro-3-indolyl α-D-mannoside
ChEBI ID CHEBI:75501
ChEBI ASCII Name 5-bromo-4-chloro-3-indolyl alpha-D-mannoside
Definition An 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
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C14H15BrClNO6
Net Charge 0
Average Mass 408.62900
Monoisotopic Mass 406.97713
InChI InChI=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
InChIKey OPIFSICVWOWJMJ-HAAGFXOZSA-N
SMILES [H][C@@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)Oc1c[nH]c2ccc(Br)c(Cl)c12
Roles Classification
Application(s): 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.
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ChEBI Ontology
Outgoing 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 α-D-mannoside (CHEBI:27535)
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)
IUPAC Name
5-bromo-4-chloro-1H-indol-3-yl α-D-mannopyranoside
Synonym Source
5-bromo-4-chloroindoxyl α-D-mannoside ChEBI
Manual Xref Database
DB04806 DrugBank
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Last Modified
29 October 2015