Chemical Component Summary

Name(2-[2-KETOPROPYLTHIO]ETHANESULFONATE
Identifiers2-(2-oxopropylsulfanyl)ethanesulfonic acid
FormulaC5 H10 O4 S2
Molecular Weight198.26
TypeNON-POLYMER
Isomeric SMILESCC(=O)CSCCS(=O)(=O)O
InChIInChI=1S/C5H10O4S2/c1-5(6)4-10-2-3-11(7,8)9/h2-4H2,1H3,(H,7,8,9)
InChIKeyCRNXHFXAXBWIRH-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count21
Chiral Atom Count0
Bond Count20
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB03163 
Name2-oxopropyl-CoM
Groups experimental
Synonyms
  • 2-ketopropyl-CoM
  • 2-(2-Oxopropylthio)ethanesulfonate
  • 2-oxopropyl-CoM
  • 2-[(2-Oxopropyl)sulfanyl]ethanesulfonic acid

Drug Targets

NameTarget SequencePharmacological ActionActions
2-oxopropyl-CoM reductase, carboxylatingMKVWNARNDHLTINQWATRIDEILEAPDGGEVIYNVDENDPREYDAIFIG...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 443231
ChEBI CHEBI:15881