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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:36:53 UTC
Update Date2025-03-21 17:57:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00008176
Frequency666.8
Structure
Chemical FormulaC4H11N3OS
Molecular Mass149.0623
SMILESCS(=O)CCN=C(N)N
InChI KeyJVCLGGLFZIWZQY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass guanidines
Direct Parent guanidines
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carboximidamides
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • sulfinyl compounds
  • sulfoxides
    • Substituents
  • aliphatic acyclic compound
  • guanidine
  • organic 1,3-dipolar compound
  • carboximidamide
  • organosulfur compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • sulfinyl compound
  • sulfoxide
  • organopnictogen compound
  • hydrocarbon derivative