EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:11944 - 4-(hydroxymethyl)benzenesulfonate

ChEBI IDCHEBI:11944
ChEBI Name4-(hydroxymethyl)benzenesulfonate
Stars
DefinitionAn arenesulfonate that is the conjugate base of 4-(hydroxymethyl)benzenesulfonic acid, obtained by deprotonation of the sulfonic acid group.
Last Modified18 August 2015
DownloadsMolfile
FormulaC7H7O4S
Net Charge-1
Average Mass187.196
Monoisotopic Mass187.00705
SMILESO=S(=O)([O-])c1ccc(CO)cc1
InChIInChI=1S/C7H8O4S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4,8H,5H2,(H,9,10,11)/p-1
InChIKeyVVQVMHASNBSOOC-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
4-(hydroxymethyl)benzenesulfonate (CHEBI:11944) is a arenesulfonate oxoanion (CHEBI:22713)
4-(hydroxymethyl)benzenesulfonate (CHEBI:11944) is conjugate base of 4-(hydroxymethyl)benzenesulfonic acid (CHEBI:18312)
Incoming Relation(s)
4-(hydroxymethyl)benzenesulfonic acid (CHEBI:18312) is conjugate acid of 4-(hydroxymethyl)benzenesulfonate (CHEBI:11944)
IUPAC Name 
4-(hydroxymethyl)benzenesulfonate
UniProt Name  Source
4-(hydroxymethyl)benzenesulfonateUniProt
Manual XrefsDatabases
c0302UM-BBD