CHEBI:27500 - 4-aminobenzenesulfonic acid

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ChEBI Name 4-aminobenzenesulfonic acid
Definition An aminobenzenesulfonic acid that is aniline sulfonated at the para-position.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1782
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Formula C6H7NO3S
Net Charge 0
Average Mass 173.19000
Monoisotopic Mass 173.01466
InChI InChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)
SMILES Nc1ccc(cc1)S(O)(=O)=O
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): allergen
A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound.
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
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ChEBI Ontology
Outgoing 4-aminobenzenesulfonic acid (CHEBI:27500) has role allergen (CHEBI:50904)
4-aminobenzenesulfonic acid (CHEBI:27500) has role environmental contaminant (CHEBI:78298)
4-aminobenzenesulfonic acid (CHEBI:27500) has role xenobiotic (CHEBI:35703)
4-aminobenzenesulfonic acid (CHEBI:27500) has role xenobiotic metabolite (CHEBI:76206)
4-aminobenzenesulfonic acid (CHEBI:27500) is a aminobenzenesulfonic acid (CHEBI:33557)
4-aminobenzenesulfonic acid (CHEBI:27500) is conjugate acid of 4-aminobenzenesulfonate (CHEBI:20313)
Incoming 4-aminobenzenesulfonate (CHEBI:20313) is conjugate base of 4-aminobenzenesulfonic acid (CHEBI:27500)
4-aminobenzenesulfonic acid
Synonyms Sources
4-Aminobenzenesulfonic acid KEGG COMPOUND
aniline-p-sulfonic acid NIST Chemistry WebBook
aniline-p-sulphonic acid NIST Chemistry WebBook
p-Aminobenzenesulfonic acid KEGG COMPOUND
p-aminophenylsulfonic acid NIST Chemistry WebBook
Sulfanilic acid KEGG COMPOUND
Sulfanilsäure ChEBI
sulphanilic acid NIST Chemistry WebBook
Manual Xrefs Databases
3562 DrugCentral
CPD-10427 MetaCyc
Sulfanilic_acid Wikipedia
View more database links
Registry Numbers Types Sources
101735 Gmelin Registry Number Gmelin
121-57-3 CAS Registry Number KEGG COMPOUND
121-57-3 CAS Registry Number NIST Chemistry WebBook
121-57-3 CAS Registry Number ChemIDplus
908765 Reaxys Registry Number Reaxys
908765 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
22764117 PubMed citation Europe PMC
2434548 PubMed citation Europe PMC
24435205 PubMed citation Europe PMC
25259503 PubMed citation Europe PMC
7200051 PubMed citation Europe PMC
Last Modified
07 March 2019
General Comment
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag