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CHEBI:177366 - 3-oxopropane-1-sulfonic acid

ChEBI IDCHEBI:177366
ChEBI Name3-oxopropane-1-sulfonic acid
Stars
DefinitionAn organosulfonic acid that is propanal substituted by a sulfo group at position 3.
Last Modified11 August 2021
SubmitterAdnan
DownloadsMolfile
FormulaC3H6O4S
Net Charge0
Average Mass138.144
Monoisotopic Mass137.99868
SMILES[H]C(=O)CCS(=O)(=O)O
InChIInChI=1S/C3H6O4S/c4-2-1-3-8(5,6)7/h2H,1,3H2,(H,5,6,7)
InChIKeyCZJYONJVHLMKCY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Burkholderia sp. N-APS2 (ncbitaxon:475234) - PubMed (18081842)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
3-oxopropane-1-sulfonic acid (CHEBI:177366) has role bacterial metabolite (CHEBI:76969)
3-oxopropane-1-sulfonic acid (CHEBI:177366) is a organosulfonic acid (CHEBI:33551)
3-oxopropane-1-sulfonic acid (CHEBI:177366) is a α-CH2-containing aldehyde (CHEBI:73359)
3-oxopropane-1-sulfonic acid (CHEBI:177366) is conjugate acid of 3-oxopropane-1-sulfonate (CHEBI:176528)
Incoming Relation(s)
3-oxopropane-1-sulfonate (CHEBI:176528) is conjugate base of 3-oxopropane-1-sulfonic acid (CHEBI:177366)
IUPAC Name 
3-oxopropane-1-sulfonic acid
Synonyms  Source
3-sulfopropaldehydeChEBI
3-sulfopropanalChEBI
3-sulfopropionaldehydeChEBI
Citations