CHEBI:27758 - 3,4-dihydroxybenzenesulfonic acid

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ChEBI Name 3,4-dihydroxybenzenesulfonic acid
ChEBI ID CHEBI:27758
Definition A benzene ring substituted with a sulphonic acid group at position C-1, and hydroxy groups at C-3 and C-4.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1938
Supplier Information
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Formula C6H6O5S
Net Charge 0
Average Mass 190.17484
Monoisotopic Mass 189.994
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)
InChIKey LTPDITOEDOAWRU-UHFFFAOYSA-N
SMILES Oc1ccc(cc1O)S(O)(=O)=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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 3,4-dihydroxybenzenesulfonate (CHEBI:20478) is conjugate base of 3,4-dihydroxybenzenesulfonic acid (CHEBI:27758)
IUPAC Name
3,4-dihydroxybenzenesulfonic acid
Synonym Source
4-Sulfocatechol KEGG COMPOUND
Manual Xrefs Databases
C06674 KEGG COMPOUND
CPD-10418 MetaCyc
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Registry Numbers Types Sources
2099722 Beilstein Registry Number Beilstein
2099722 Reaxys Registry Number Reaxys
7134-09-0 CAS Registry Number KEGG COMPOUND
7134-09-0 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
22770225 PubMed citation Europe PMC
Last Modified
15 November 2012