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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:38:27 UTC
Update Date2025-03-21 17:58:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00011900
Frequency581.3
Structure
Chemical FormulaC5H13N3OS
Molecular Mass163.0779
SMILESCS(=O)CCCN=C(N)N
InChI KeyIDOFYHBKWDMNPM-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