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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:12 UTC
Update Date2025-03-21 18:35:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00103493
Frequency26.2
Structure
Chemical FormulaC8H17NOS3
Molecular Mass239.0472
SMILESCCSC(=S)NCCCCS(C)=O
InChI KeyWVABONHXGZMHKT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classdithiocarbamic acids and derivatives
Subclass dithiocarbamic acid esters
Direct Parent dithiocarbamic acid esters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • sulfenyl compounds
  • sulfinyl compounds
  • sulfoxides
    • Substituents
  • aliphatic acyclic compound
  • sulfenyl compound
  • organosulfur compound
  • dithiocarbamic acid ester
  • organic oxide
  • organic oxygen compound
  • sulfinyl compound
  • organonitrogen compound
  • sulfoxide
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound