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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:39:05 UTC
Update Date2025-03-21 18:47:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00155149
Frequency26.5
Structure
Chemical FormulaC6H13NOS2
Molecular Mass179.0439
SMILESCS(=O)CCCCN=CS
InChI KeyZWRKPZDQBQKJAE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classsulfoxides
Subclass sulfoxides
Direct Parent sulfoxides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkylthiols
  • hydrocarbon derivatives
  • imidothioic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • sulfinyl compounds
    • Substituents
  • aliphatic acyclic compound
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • sulfinyl compound
  • organonitrogen compound
  • sulfoxide
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • imidothioic acid or derivatives
  • alkylthiol