4-aminobenzenesulfonic acid (CHEBI:27500)

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ChEBI Name	4-aminobenzenesulfonic acid

ChEBI ID	CHEBI:27500

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

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)

InChIKey

HVBSAKJJOYLTQU-UHFFFAOYSA-N

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. xenobiotic 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.

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)

IUPAC Name

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

Last Modified

07 March 2019

General Comment
2014-10-29	Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag