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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5-bromo-4-chloro-3-indolyl α-D-glucuronide
ChEBI ID CHEBI:75511
ChEBI ASCII Name 5-bromo-4-chloro-3-indolyl alpha-D-glucuronide
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C14H13BrClNO7
Net Charge 0
Average Mass 422.61300
Monoisotopic Mass 420.95639
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-HNRZYHPDSA-N
SMILES [H][C@@]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)Oc1c[nH]c2ccc(Br)c(Cl)c12
ChEBI Ontology
Outgoing 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 α-D-glucosiduronic acid (CHEBI:52773)
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)
IUPAC Name
5-bromo-4-chloro-1H-indol-3-yl α-D-glucopyranosiduronic acid
Synonym Source
5-bromo-4-chloroindoxyl α-D-glucuronide ChEBI
Last Modified
06 September 2013