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3-oxopropane-1-sulfonate

PropertiesImage
MNX_IDMNXM6097 Image of MNXM6097
referencechebi:176528
formulaC3H5O4S
global charge-1
mol weight137.136
InChIKeyCZJYONJVHLMKCY-UHFFFAOYSA-M
InChIInChI=1S/C3H6O4S/c4-2-1-3-8(5,6)7/h2H,1,3H2,(H,5,6,7)/p-1
SMILESO=CCCS(=O)(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C3H6O4S/c4-2-1-3-8(5,6)7/h2H,1,3H2,(H,5,6,7) Image of MNXM6097
SMILES (mnx)[CH2:1]([CH:2]=[O:4])[CH2:3][S:8]([OH:5])(=[O:6])=[O:7]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:176528
chebi:176528
CZJYONJVHLMKCY-UHFFFAOYSA-M 		3-oxopropane-1-sulfonate
3-oxopropane-1-sulfonic acid anion
3-oxopropane-1-sulfonic acid(1-)
3-sulfonatopropanal
3-sulfopropaldehyde(1-)
3-sulfopropanal(1-)
3-sulfopropionaldehyde(1-)

kegg.compound:C22384
keggC:C22384
CZJYONJVHLMKCY-UHFFFAOYSA-N 		3-Oxopropane-1-sulfonate
3-Sulfopropionaldehyde

metacyc.compound:CPD-11726
metacycM:CPD-11726
CZJYONJVHLMKCY-UHFFFAOYSA-M 		3-oxopropane-1-sulfonate
3-sulfopropaldehyde
3-sulfopropanal
3-sulfopropionaldehyde

CHEBI:177366
chebi:177366
CZJYONJVHLMKCY-UHFFFAOYSA-N 		3-oxopropane-1-sulfonic acid
3-sulfopropaldehyde
3-sulfopropanal
3-sulfopropionaldehyde

seed.compound:cpd23071
seedM:cpd23071
CZJYONJVHLMKCY-UHFFFAOYSA-M 		3-sulfopropaldehyde
3-sulfopropanal
3-sulfopropionaldehyde

keggC:M_C22384
seedM:M_cpd23071 		secondary/obsolete/fantasy identifier