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CHEBI:27758 - 3,4-dihydroxybenzenesulfonic acid

ChEBI IDCHEBI:27758
ChEBI Name3,4-dihydroxybenzenesulfonic acid
Stars
DefinitionA benzene ring substituted with a sulphonic acid group at position C-1, and hydroxy groups at C-3 and C-4.
Secondary ChEBI IDCHEBI:1938
Last Modified15 November 2012
DownloadsMolfile
FormulaC6H6O5S
Net Charge0
Average Mass190.176
Monoisotopic Mass189.99359
SMILESO=S(=O)(O)c1ccc(O)c(O)c1
InChIInChI=1S/C6H6O5S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3,7-8H,(H,9,10,11)
InChIKeyLTPDITOEDOAWRU-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
3,4-dihydroxybenzenesulfonic acid (CHEBI:27758) has role metabolite (CHEBI:25212)
3,4-dihydroxybenzenesulfonic acid (CHEBI:27758) is a dihydroxybenzenesulfonic acid (CHEBI:26826)
3,4-dihydroxybenzenesulfonic acid (CHEBI:27758) is conjugate acid of 3,4-dihydroxybenzenesulfonate (CHEBI:20478)
Incoming Relation(s)
3,4-dihydroxybenzenesulfonate (CHEBI:20478) is conjugate base of 3,4-dihydroxybenzenesulfonic acid (CHEBI:27758)
IUPAC Name 
3,4-dihydroxybenzenesulfonic acid
Synonym  Source
4-SulfocatecholKEGG COMPOUND
Manual XrefsDatabases
C06674KEGG COMPOUND
CPD-10418MetaCyc
Registry NumbersSources
Reaxys:2099722Reaxys
CAS:7134-09-0KEGG COMPOUND
CAS:7134-09-0ChemIDplus
Citations