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CHEBI:87316 - 7-amino-4-hydroxy-2-naphthalenesulfonic acid

ChEBI IDCHEBI:87316
ChEBI Name7-amino-4-hydroxy-2-naphthalenesulfonic acid
Stars
DefinitionAn aminonaphthalenesulfonic acid that is 2-naphthalenesulfonic acid substituted by an amino group at position 7 and a hydroxy group at position 4 respectively.
Last Modified2 September 2015
Submitternamrata
DownloadsMolfile
FormulaC10H9NO4S
Net Charge0
Average Mass239.252
Monoisotopic Mass239.02523
SMILESNc1ccc2c(O)cc(S(=O)(=O)O)cc2c1
InChIInChI=1S/C10H9NO4S/c11-7-1-2-9-6(3-7)4-8(5-10(9)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)
InChIKeyKYARBIJYVGJZLB-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
7-amino-4-hydroxy-2-naphthalenesulfonic acid (CHEBI:87316) has role metabolite (CHEBI:25212)
7-amino-4-hydroxy-2-naphthalenesulfonic acid (CHEBI:87316) is a aminonaphthalenesulfonic acid (CHEBI:38210)
7-amino-4-hydroxy-2-naphthalenesulfonic acid (CHEBI:87316) is a naphthols (CHEBI:25392)
IUPAC Name 
7-amino-4-hydroxynaphthalene-2-sulfonic acid
Registry NumbersSources
Reaxys:2217192Reaxys
CAS:87-02-5ChemIDplus