CHEBI:68555 - 5-sulfosalicylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5-sulfosalicylic acid
ChEBI ID CHEBI:68555
Definition An arenesulfonic acid that is benzoic acid substituted by a hydroxy at position C-2 and a sulfo group at C-5.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C7H6O6S
Net Charge 0
Average Mass 218.18400
Monoisotopic Mass 217.989
InChI InChI=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)
InChIKey YCPXWRQRBFJBPZ-UHFFFAOYSA-N
SMILES OC(=O)c1cc(ccc1O)S(O)(=O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 acid KEGG COMPOUND
Manual Xrefs Databases
5-Sulfosalicylic_acid Wikipedia
C16199 KEGG COMPOUND
HMDB0011725 HMDB
View more database links
Registry Numbers Types Sources
650741 Reaxys Registry Number Reaxys
97-05-2 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
22770225 PubMed citation Europe PMC
Last Modified
28 July 2014