HED

2-HYDROXYETHYL DISULFIDE

Created: 1999-07-08
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count18
Chiral Atom Count0
Bond Count17
Aromatic Bond Count0
2D diagram of HED
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Chemical Component Summary

Name2-HYDROXYETHYL DISULFIDE
Systematic Name (OpenEye OEToolkits)2-(2-hydroxyethyldisulfanyl)ethanol
FormulaC4 H10 O2 S2
Molecular Weight154.251
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04OCCSSCCO
SMILESCACTVS3.341OCCSSCCO
SMILESOpenEye OEToolkits1.5.0C(CSSCCO)O
Canonical SMILESCACTVS3.341 OCCSSCCO
Canonical SMILESOpenEye OEToolkits1.5.0 C(CSSCCO)O
InChIInChI1.03 InChI=1S/C4H10O2S2/c5-1-3-7-8-4-2-6/h5-6H,1-4H2
InChIKeyInChI1.03 KYNFOMQIXZUKRK-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB02486 
Name2-Hydroxyethyl Disulfide
Groups experimental
Synonyms2-Hydroxyethyl Disulfide
Categories
  • Alcohols
  • Anions
  • Electrolytes
  • Hydrogen Sulfide
  • Ions
CAS number1892-29-1

Drug Targets

NameTarget SequencePharmacological ActionActions
LysozymeMNIFEMLRIDERLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAI...unknown
Glutathione S-transferase A1MAEKPKLHYFNARGRMESTRWLLAAAGVEFEEKFIKSAEDLDKLRNDGYL...unknown
Glutathione S-transferase A1MAEKPKLHYFNARGRMESTRWLLAAAGVEFEEKFIKSAEDLDKLRNDGYL...unknownsubstrate
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 15906
ChEMBL CHEMBL1233278
ChEBI CHEBI:43136
CCDC/CSD TOSDEN