CHEBI:20478 - 3,4-dihydroxybenzenesulfonate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3,4-dihydroxybenzenesulfonate
ChEBI ID CHEBI:20478
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C6H5O5S
Net Charge -1
Average Mass 189.16690
Monoisotopic Mass 188.98632
InChI InChI=1S/C6H6O5S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3,7-8H,(H,9,10,11)/p-1
InChIKey LTPDITOEDOAWRU-UHFFFAOYSA-M
SMILES Oc1ccc(cc1O)S([O-])(=O)=O
ChEBI Ontology
Outgoing 3,4-dihydroxybenzenesulfonate (CHEBI:20478) is a dihydroxybenzenesulfonate (CHEBI:33564)
3,4-dihydroxybenzenesulfonate (CHEBI:20478) is conjugate base of 3,4-dihydroxybenzenesulfonic acid (CHEBI:27758)
Incoming 3,4-dihydroxybenzenesulfonic acid (CHEBI:27758) is conjugate acid of 3,4-dihydroxybenzenesulfonate (CHEBI:20478)
IUPAC Name
3,4-dihydroxybenzenesulfonate
Synonym Source
4-sulfocatechol UM-BBD
Manual Xrefs Databases
c0427 UM-BBD
C06674 KEGG COMPOUND
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Last Modified
18 January 2006