CHEBI:75513 - 5-bromo-4-chloro-3-indolyl β-D-galactosaminide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5-bromo-4-chloro-3-indolyl β-D-galactosaminide
ChEBI ID CHEBI:75513
ChEBI ASCII Name 5-bromo-4-chloro-3-indolyl beta-D-galactosaminide
Definition An indolyl carbohydrate that is the β-D-galactosaminide of 3-hydroxy-1H-indole 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 C14H16BrClN2O5
Net Charge 0
Average Mass 407.64400
Monoisotopic Mass 405.99311
InChI InChI=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
InChIKey PFLXIUOIVYGOQQ-LNNRFACYSA-N
SMILES [H][C@]1(O[C@H](CO)[C@H](O)[C@H](O)[C@H]1N)Oc1c[nH]c2ccc(Br)c(Cl)c12
ChEBI Ontology
Outgoing 5-bromo-4-chloro-3-indolyl β-D-galactosaminide (CHEBI:75513) has functional parent indoxyl (CHEBI:17840)
5-bromo-4-chloro-3-indolyl β-D-galactosaminide (CHEBI:75513) is a D-galactosaminide (CHEBI:20954)
5-bromo-4-chloro-3-indolyl β-D-galactosaminide (CHEBI:75513) is a indolyl carbohydrate (CHEBI:24821)
5-bromo-4-chloro-3-indolyl β-D-galactosaminide (CHEBI:75513) is a monosaccharide derivative (CHEBI:63367)
5-bromo-4-chloro-3-indolyl β-D-galactosaminide (CHEBI:75513) is a organobromine compound (CHEBI:37141)
5-bromo-4-chloro-3-indolyl β-D-galactosaminide (CHEBI:75513) is a organochlorine compound (CHEBI:36683)
IUPAC Name
5-bromo-4-chloro-1H-indol-3-yl 2-amino-2-deoxy-β-D-galactopyranoside
Synonym Source
5-bromo-4-chloroindoxyl β-D-galactosaminide ChEBI
Last Modified
01 October 2013