CHEBI:50519 - sulfoacetic acid

ChEBI IDCHEBI:50519
ChEBI Namesulfoacetic acid
Stars
DefinitionA carboxyalkanesulfonic acid that is the C-sulfo derivative of acetic acid.
Secondary ChEBI IDsCHEBI:34987, CHEBI:49876
Last Modified25 January 2016
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC2H4O5S
Net Charge0
Average Mass140.116
Monoisotopic Mass139.97794
SMILESO=C(O)CS(=O)(=O)O
InChIInChI=1S/C2H4O5S/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H,5,6,7)
InChIKeyAGGIJOLULBJGTQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
sulfoacetic acid (CHEBI:50519) has functional parent acetic acid (CHEBI:15366)
sulfoacetic acid (CHEBI:50519) has role Escherichia coli metabolite (CHEBI:76971)
sulfoacetic acid (CHEBI:50519) is a carboxyalkanesulfonic acid (CHEBI:38031)
sulfoacetic acid (CHEBI:50519) is conjugate acid of sulfonatoacetate (CHEBI:58824)
Incoming Relation(s)
sulfoacetyl-CoA (CHEBI:61992) has functional parent sulfoacetic acid (CHEBI:50519)
sulfonatoacetate (CHEBI:58824) is conjugate base of sulfoacetic acid (CHEBI:50519)
IUPAC Name 
sulfoacetic acid
Synonyms  Source
SulfoacetateKEGG COMPOUND
Sulfoacetic acidKEGG COMPOUND
sulfoethanoic acidChemIDplus
sulphoacetic acidChemIDplus
2-sulfoacetic acidChemIDplus
Manual XrefsDatabases
C14179KEGG COMPOUND
SATPDBeChem
Registry NumbersSources
Gmelin:82570Gmelin
Reaxys:1764390Reaxys
CAS:123-43-3KEGG COMPOUND
CAS:123-43-3ChemIDplus
Citations