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> Main
CHEBI:30789 - 4-sulfobenzoic acid
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ChEBI Name
4-sulfobenzoic acid
ChEBI ID
CHEBI:30789
Definition
A sulfobenzoic acid in which the sulfonic acid and carboxylic acid groups are in a
para
-relationship.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:20477, CHEBI:1936
Supplier Information
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Formula
C7H6O5S
Net Charge
0
Average Mass
202.18554
Monoisotopic Mass
201.99359
InChI
InChI=1S/C7H6O5S/c8-7(9)5-1-3-6(4-2-5)13(10,11)12/h1-4H,(H,8,9)(H,10,11,12)
InChIKey
HWAQOZGATRIYQG-UHFFFAOYSA-N
SMILES
OC(=O)c1ccc(cc1)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
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
4-sulfobenzoic acid (
CHEBI:30789
)
has functional parent
benzoic acid (
CHEBI:30746
)
4-sulfobenzoic acid (
CHEBI:30789
)
is a
sulfobenzoic acid (
CHEBI:26825
)
4-sulfobenzoic acid (
CHEBI:30789
)
is conjugate acid of
4-sulfobenzoate(1−) (
CHEBI:16309
)
4-sulfobenzoic acid (
CHEBI:30789
)
is conjugate acid of
4-sulfonatobenzoate(2−) (
CHEBI:20476
)
Incoming
4-sulfobenzoate(1−) (
CHEBI:16309
)
is conjugate base of
4-sulfobenzoic acid (
CHEBI:30789
)
4-sulfonatobenzoate(2−) (
CHEBI:20476
)
is conjugate base of
4-sulfobenzoic acid (
CHEBI:30789
)
IUPAC Name
4-sulfobenzoic acid
Synonyms
Sources
4-Sulfobenzoic acid
KEGG COMPOUND
4-sulphobenzoic acid
ChEBI
HO
3
S‒C
6
H
4
‒COOH
ChEBI
p
-sulfobenzoic acid
ChemIDplus
para
-sulfobenzoic acid
ChemIDplus
Manual Xref
Database
C02236
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
1524793
Gmelin Registry Number
Gmelin
2212420
Reaxys Registry Number
Reaxys
2212420
Beilstein Registry Number
Beilstein
636-78-2
CAS Registry Number
KEGG COMPOUND
636-78-2
CAS Registry Number
ChemIDplus
Citations
Types
Sources
16028199
PubMed citation
Europe PMC
18080250
PubMed citation
Europe PMC
6438215
PubMed citation
Europe PMC
Last Modified
28 July 2014