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> Main
CHEBI:68555 - 5-sulfosalicylic acid
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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.
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Formula
C7H6O6S
Net Charge
0
Average Mass
218.18400
Monoisotopic Mass
217.98851
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 (Br
o
nsted 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
Type
Source
22770225
PubMed citation
Europe PMC
Last Modified
28 July 2014