CHEBI:16309 - 4-sulfobenzoate(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-sulfobenzoate(1−)
ChEBI ID CHEBI:16309
ChEBI ASCII Name 4-sulfobenzoate(1-)
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:12045
Supplier Information
Download Molfile XML SDF
Formula C7H5O5S
Net Charge -1
Average Mass 201.17760
Monoisotopic Mass 200.98632
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-1
InChIKey HWAQOZGATRIYQG-UHFFFAOYSA-M
SMILES OS(=O)(=O)c1ccc(cc1)C([O-])=O
ChEBI Ontology
Outgoing 4-sulfobenzoate(1−) (CHEBI:16309) is a sulfobenzoate (CHEBI:38036)
4-sulfobenzoate(1−) (CHEBI:16309) is conjugate base of 4-sulfobenzoic acid (CHEBI:30789)
Incoming 4-sulfobenzoic acid (CHEBI:30789) is conjugate acid of 4-sulfobenzoate(1−) (CHEBI:16309)
IUPAC Name
4-sulfobenzoate
Synonyms Sources
4-sulphobenzoate ChEBI
HO3S‒C6H4‒COO ChEBI
Last Modified
16 April 2007