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CHEBI:75511 - 5-bromo-4-chloro-3-indolyl α-D-glucuronide

ChEBI IDCHEBI:75511
ChEBI Name5-bromo-4-chloro-3-indolyl α-D-glucuronide
Stars
ASCII Name5-bromo-4-chloro-3-indolyl alpha-D-glucuronide
DefinitionAn indolyl carbohydrate that is the α-D-glucuronide of indoxyl in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively.
Last Modified6 September 2013
SubmitterSteve
DownloadsMolfile
FormulaC14H13BrClNO7
Net Charge0
Average Mass422.615
Monoisotopic Mass420.95639
SMILES[H][C@]1(Oc2cnc3ccc(Br)c(Cl)c23)O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H13BrClNO7/c15-4-1-2-5-7(8(4)16)6(3-17-5)23-14-11(20)9(18)10(19)12(24-14)13(21)22/h1-3,9-12,14,17-20H,(H,21,22)/t9-,10-,11+,12-,14-/m0/s1
InChIKeyDHJFFLKPAYHPHU-HNRZYHPDSA-N
ChEBI Ontology
Outgoing Relation(s)
5-bromo-4-chloro-3-indolyl α-D-glucuronide (CHEBI:75511) has functional parent indoxyl (CHEBI:17840)
5-bromo-4-chloro-3-indolyl α-D-glucuronide (CHEBI:75511) is a indolyl carbohydrate (CHEBI:24821)
5-bromo-4-chloro-3-indolyl α-D-glucuronide (CHEBI:75511) is a monosaccharide derivative (CHEBI:63367)
5-bromo-4-chloro-3-indolyl α-D-glucuronide (CHEBI:75511) is a organobromine compound (CHEBI:37141)
5-bromo-4-chloro-3-indolyl α-D-glucuronide (CHEBI:75511) is a organochlorine compound (CHEBI:36683)
5-bromo-4-chloro-3-indolyl α-D-glucuronide (CHEBI:75511) is a α-D-glucosiduronic acid (CHEBI:52773)
IUPAC Name 
5-bromo-4-chloro-1H-indol-3-yl α-D-glucopyranosiduronic acid
Synonym  Source
5-bromo-4-chloroindoxyl α-D-glucuronideChEBI