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CHEBI:68555 - 5-sulfosalicylic acid

ChEBI IDCHEBI:68555
ChEBI Name5-sulfosalicylic acid
Stars
DefinitionAn arenesulfonic acid that is benzoic acid substituted by a hydroxy at position C-2 and a sulfo group at C-5.
Last Modified28 July 2014
Submittermwilliams
DownloadsMolfile
FormulaC7H6O6S
Net Charge0
Average Mass218.186
Monoisotopic Mass217.98851
SMILESO=C(O)c1cc(S(=O)(=O)O)ccc1O
InChIInChI=1S/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13)
InChIKeyYCPXWRQRBFJBPZ-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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)
5-sulfosalicylic acid (CHEBI:68555) has functional parent benzoic acid (CHEBI:30746)
5-sulfosalicylic acid (CHEBI:68555) has functional parent phenol (CHEBI:15882)
5-sulfosalicylic acid (CHEBI:68555) has role metabolite (CHEBI:25212)
5-sulfosalicylic acid (CHEBI:68555) is a arenesulfonic acid (CHEBI:33555)
5-sulfosalicylic acid (CHEBI:68555) is a benzoic acids (CHEBI:22723)
5-sulfosalicylic acid (CHEBI:68555) is a phenols (CHEBI:33853)
IUPAC Name 
2-hydroxy-5-sulfobenzoic acid
Synonym  Source
Sulfosalicylic acidKEGG COMPOUND
Manual XrefsDatabases
C16199KEGG COMPOUND
HMDB0011725HMDB
5-Sulfosalicylic_acidWikipedia
Registry NumbersSources
Reaxys:650741Reaxys
CAS:97-05-2ChemIDplus
CAS:97-05-2KEGG COMPOUND
Citations