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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:50519 - sulfoacetic acid
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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
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Molfile
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Formula
C2H4O5S
Net Charge
0
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 (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in
Escherichia coli
.
View more via ChEBI Ontology
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
Synonyms
Sources
2-sulfoacetic acid
ChemIDplus
Sulfoacetate
KEGG COMPOUND
Sulfoacetic acid
KEGG COMPOUND
sulfoethanoic acid
ChemIDplus
sulphoacetic acid
ChemIDplus
Manual Xrefs
Databases
C14179
KEGG COMPOUND
SAT
PDBeChem
View more database links
Registry Numbers
Types
Sources
123-43-3
CAS Registry Number
KEGG COMPOUND
123-43-3
CAS Registry Number
ChemIDplus
1764390
Reaxys Registry Number
Reaxys
1764390
Beilstein Registry Number
ChemIDplus
82570
Gmelin Registry Number
Gmelin
Citation
Type
Source
22689630
PubMed citation
Europe PMC
Last Modified
25 January 2016