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CHEBI:20476 - 4-sulfonatobenzoate(2−)
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ChEBI Name
4-sulfonatobenzoate(2−)
ChEBI ID
CHEBI:20476
ChEBI ASCII Name
4-sulfonatobenzoate(2-)
Definition
A doubly-charged sulfonatobenzoate consisting of benzoate having a sufonato group at the 4-position.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C7H4O5S
Net Charge
-2
Average Mass
200.16966
Monoisotopic Mass
199.97904
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)/p-2
InChIKey
HWAQOZGATRIYQG-UHFFFAOYSA-L
SMILES
[O-]C(=O)c1ccc(cc1)S([O-])(=O)=O
ChEBI Ontology
Outgoing
4-sulfonatobenzoate(2−) (
CHEBI:20476
)
has functional parent
benzoate (
CHEBI:16150
)
4-sulfonatobenzoate(2−) (
CHEBI:20476
)
is a
sulfonatobenzoate (
CHEBI:36086
)
4-sulfonatobenzoate(2−) (
CHEBI:20476
)
is conjugate base of
4-sulfobenzoic acid (
CHEBI:30789
)
Incoming
4-sulfobenzoic acid (
CHEBI:30789
)
is conjugate acid of
4-sulfonatobenzoate(2−) (
CHEBI:20476
)
IUPAC Name
4-sulfonatobenzoate
Synonyms
Sources
4-sulfobenzoate
UniProt
4-sulphonatobenzoate
ChEBI
−
O
3
S‒C
6
H
4
‒COO
−
ChEBI
Manual Xrefs
Databases
C02236
KEGG COMPOUND
c0304
UM-BBD
View more database links
Last Modified
18 August 2015