sulfoacetic acid (CHEBI:50519)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	sulfoacetic acid

ChEBI ID	CHEBI:50519

Definition	A carboxyalkanesulfonic acid that is the C-sulfo derivative of acetic acid.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:34987, CHEBI:49876

Supplier Information

Download	Molfile XML SDF

more structures >>

Formula

C2H4O5S

Net Charge

Average Mass

140.11616

Monoisotopic Mass

139.97794

InChI

InChI=1S/C2H4O5S/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H,5,6,7)

InChIKey

AGGIJOLULBJGTQ-UHFFFAOYSA-N

SMILES

OC(=O)CS(O)(=O)=O

Metabolite of Species	Details
Escherichia coli (NCBI:txid562)	See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.

ChEBI Ontology
Outgoing	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	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

Citation	Type	Source
22689630	PubMed citation	Europe PMC

Last Modified

25 January 2016