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CHEBI:20313 - 4-aminobenzenesulfonate
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ChEBI Ontology
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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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Molfile
Molfile
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 (Br
o
nsted acid).
(via
organic amino compound
)
Biological Role
(s):
xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound.
View more via ChEBI Ontology
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
View more database links
Registry Numbers
Types
Sources
131013
Gmelin Registry Number
Gmelin
1876299
Reaxys Registry Number
Reaxys
Last Modified
21 July 2014