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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:25 UTC
Update Date2025-03-25 00:49:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02174861
Frequency0.5
Structure
Chemical FormulaC10H19NS
Molecular Mass185.1238
SMILESCCCC=CCC(S)=NCCC
InChI KeyCFVKHVQJYLIYIP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classimidothioic acids and derivatives
Subclass imidothioic acids and derivatives
Direct Parent imidothioic acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkylthiols
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfur compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic 1,3-dipolar compound
  • organic nitrogen compound
  • organosulfur compound
  • imidothioic acid or derivatives
  • alkylthiol
  • propargyl-type 1,3-dipolar organic compound