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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:24 UTC
Update Date2025-03-25 01:01:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02248039
Frequency0.5
Structure
Chemical FormulaC5H13N3OS2
Molecular Mass195.05
SMILESNC(N)=NCCCCS(=O)S
InChI KeyQMEKSGPJAHCAOD-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
  • organic thiosulfinic acids
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • sulfinyl compounds
    • 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
  • organopnictogen compound
  • hydrocarbon derivative
  • organic thiosulfinic acid