5-bromo-4-chloro-3-indolyl beta-D-glucuronide (CHEBI:75510)

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CHEBI:75510 - 5-bromo-4-chloro-3-indolyl β-D-glucuronide

ChEBI ID	CHEBI:75510
ChEBI Name	5-bromo-4-chloro-3-indolyl β-D-glucuronide
Stars
ASCII Name	5-bromo-4-chloro-3-indolyl beta-D-glucuronide
Definition	An indolyl carbohydrate that is the β-D-glucuronide of indoxyl in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively
Last Modified	6 September 2013
Submitter	Steve
Downloads	Molfile

Formula	C14H13BrClNO7
Net Charge	0
Average Mass	422.615
Monoisotopic Mass	420.95639
SMILES	[H][C@@]1(Oc2cnc3ccc(Br)c(Cl)c23)O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChI	InChI=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
InChIKey	DHJFFLKPAYHPHU-BYNIDDHOSA-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 β-D-glucuronide (CHEBI:75510) has functional parent indoxyl (CHEBI:17840)
	5-bromo-4-chloro-3-indolyl β-D-glucuronide (CHEBI:75510) has role chromogenic compound (CHEBI:75050)
	5-bromo-4-chloro-3-indolyl β-D-glucuronide (CHEBI:75510) is a indolyl carbohydrate (CHEBI:24821)
	5-bromo-4-chloro-3-indolyl β-D-glucuronide (CHEBI:75510) is a monosaccharide derivative (CHEBI:63367)
	5-bromo-4-chloro-3-indolyl β-D-glucuronide (CHEBI:75510) is a organobromine compound (CHEBI:37141)
	5-bromo-4-chloro-3-indolyl β-D-glucuronide (CHEBI:75510) is a organochlorine compound (CHEBI:36683)
	5-bromo-4-chloro-3-indolyl β-D-glucuronide (CHEBI:75510) is a β-D-glucosiduronic acid (CHEBI:15341)

IUPAC Name
5-bromo-4-chloro-1H-indol-3-yl β-D-glucopyranosiduronic acid

Synonyms	Source
5-bromo-4-chloroindoxyl β-D-glucuronide	ChEBI
Bci-3 glud	ChemIDplus
5-Bromo-4-chloro-3-indolylglucuronide	ChemIDplus

Manual Xrefs	Databases
US5358854	Patent

Registry Numbers	Sources
Reaxys:1555937	Reaxys
CAS:18656-89-8	ChemIDplus