EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:20313 - 4-aminobenzenesulfonate

ChEBI IDCHEBI:20313
ChEBI Name4-aminobenzenesulfonate
Stars
DefinitionAn aminobenzenesulfonate that is the conjugate base of 4-aminobenzenesulfonic acid.
Last Modified21 July 2014
DownloadsMolfile
FormulaC6H6NO3S
Net Charge-1
Average Mass172.185
Monoisotopic Mass172.00739
SMILESNc1ccc(S(=O)(=O)[O-])cc1
InChIInChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)/p-1
InChIKeyHVBSAKJJOYLTQU-UHFFFAOYSA-M
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
ChEBI Ontology
Outgoing Relation(s)
4-aminobenzenesulfonate (CHEBI:20313) has role xenobiotic metabolite (CHEBI:76206)
4-aminobenzenesulfonate (CHEBI:20313) is a aminobenzenesulfonate (CHEBI:22493)
4-aminobenzenesulfonate (CHEBI:20313) is conjugate base of 4-aminobenzenesulfonic acid (CHEBI:27500)
Incoming Relation(s)
4-aminobenzenesulfonic acid (CHEBI:27500) is conjugate acid of 4-aminobenzenesulfonate (CHEBI:20313)
IUPAC Name 
4-aminobenzenesulfonate
Manual XrefsDatabases
c0551UM-BBD
Registry NumbersSources
Gmelin:131013Gmelin
Reaxys:1876299Reaxys