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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:49:26 UTC
Update Date2025-03-25 01:35:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02454277
Frequency0.5
Structure
Chemical FormulaC5H9N3S
Molecular Mass143.0517
SMILESN=C(N)C1=NCCSC1
InChI KeyXPIQYDXIISNWBS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass imines
Direct Parent ketimines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • amidines
  • azacyclic compounds
  • carboximidamides
  • dialkylthioethers
  • hydrocarbon derivatives
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • ketimine
  • azacycle
  • dialkylthioether
  • organic 1,3-dipolar compound
  • amidine
  • carboximidamide
  • propargyl-type 1,3-dipolar organic compound
  • thioether
  • aliphatic heteromonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organoheterocyclic compound