CHEBI:20313 - 4-aminobenzenesulfonate

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ChEBI Name 4-aminobenzenesulfonate
ChEBI ID CHEBI:20313
Definition An aminobenzenesulfonate that is the conjugate base of 4-aminobenzenesulfonic acid.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C6H6NO3S
Net Charge -1
Average Mass 172.18200
Monoisotopic Mass 172.00739
InChI InChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)/p-1
InChIKey HVBSAKJJOYLTQU-UHFFFAOYSA-M
SMILES Nc1ccc(cc1)S([O-])(=O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound.
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ChEBI Ontology
Outgoing 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 4-aminobenzenesulfonic acid (CHEBI:27500) is conjugate acid of 4-aminobenzenesulfonate (CHEBI:20313)
IUPAC Name
4-aminobenzenesulfonate
Manual Xref Database
c0551 UM-BBD
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Registry Numbers Types Sources
131013 Gmelin Registry Number Gmelin
1876299 Reaxys Registry Number Reaxys
Last Modified
21 July 2014