EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:71159 - 2,6-dihydroxybenzenesulfonic acid

Default Structure
ChEBI IDCHEBI:71159
ChEBI Name2,6-dihydroxybenzenesulfonic acid
Stars
DefinitionA dihydroxybenzenesulfonic acid that is resorcinol in which the hydrogen ortho- to both of the hydroxy groups is replaced by a sulfonic acid group.
Last Modified23 April 2013
Submittermwilliams
DownloadsMolfile
FormulaC6H6O5S
Net Charge0
Average Mass190.176
Monoisotopic Mass189.99359
SMILESO=S(=O)(O)c1c(O)cccc1O
InChIInChI=1S/C6H6O5S/c7-4-2-1-3-5(8)6(4)12(9,10)11/h1-3,7-8H,(H,9,10,11)
InChIKeyZZJVDYQPZOHNIK-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)
2,6-dihydroxybenzenesulfonic acid (CHEBI:71159) has functional parent resorcinol (CHEBI:27810)
2,6-dihydroxybenzenesulfonic acid (CHEBI:71159) has role metabolite (CHEBI:25212)
2,6-dihydroxybenzenesulfonic acid (CHEBI:71159) is a dihydroxybenzenesulfonic acid (CHEBI:26826)
IUPAC Name 
2,6-dihydroxybenzenesulfonic acid
Registry NumbersSources
Reaxys:3092450Reaxys
Citations