CHEBI:27500 - 4-aminobenzenesulfonic acid

ChEBI IDCHEBI:27500
ChEBI Name4-aminobenzenesulfonic acid
Stars
DefinitionAn aminobenzenesulfonic acid that is aniline sulfonated at the para-position.
Secondary ChEBI IDCHEBI:1782
Last Modified7 March 2019
DownloadsMolfile
FormulaC6H7NO3S
Net Charge0
Average Mass173.193
Monoisotopic Mass173.01466
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)
InChIKeyHVBSAKJJOYLTQU-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Roles:
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 (Brønsted acid).
Biological Roles:
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.
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.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
4-aminobenzenesulfonate (CHEBI:20313) is conjugate base of 4-aminobenzenesulfonic acid (CHEBI:27500)
IUPAC Name 
4-aminobenzenesulfonic acid
Synonyms  Source
4-Aminobenzenesulfonic acidKEGG COMPOUND
aniline-p-sulfonic acidNIST Chemistry WebBook
aniline-p-sulphonic acidNIST Chemistry WebBook
p-aminophenylsulfonic acidNIST Chemistry WebBook
p-Aminobenzenesulfonic acidKEGG COMPOUND
Sulfanilic acidKEGG COMPOUND
Manual XrefsDatabases
3562DrugCentral
C06335KEGG COMPOUND
CPD-10427MetaCyc
Sulfanilic_acidWikipedia
Registry NumbersSources
Gmelin:101735Gmelin
Reaxys:908765Reaxys
CAS:121-57-3KEGG COMPOUND
CAS:121-57-3ChemIDplus
CAS:121-57-3NIST Chemistry WebBook
Citations