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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:09 UTC
Update Date2025-03-25 00:46:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153868
Frequency0.5
Structure
Chemical FormulaC7H17N3OS2
Molecular Mass223.0813
SMILESCS(=O)CCCSCCN=C(N)N
InChI KeyBWPWCHNBIVJFSZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass guanidines
Direct Parent guanidines
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carboximidamides
  • dialkylthioethers
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • sulfenyl compounds
  • sulfinyl compounds
  • sulfoxides
    • Substituents
  • aliphatic acyclic compound
  • sulfenyl compound
  • guanidine
  • dialkylthioether
  • organic 1,3-dipolar compound
  • carboximidamide
  • organosulfur compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • sulfinyl compound
  • thioether
  • sulfoxide
  • organopnictogen compound
  • hydrocarbon derivative