CHEBI:20476 - 4-sulfonatobenzoate(2−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
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
−O3S‒C6H4‒COO− ChEBI
Manual Xrefs Databases
C02236 KEGG COMPOUND
c0304 UM-BBD
View more database links
Last Modified
18 August 2015