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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:20:35 UTC
Update Date2025-03-24 20:42:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01539657
Frequency0.8
Structure
Chemical FormulaC5H11N3
Molecular Mass113.0953
SMILESCCC(C)=NC(=N)N
InChI KeyUCLVYWQXXDDUBB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass imines
Direct Parent secondary ketimines
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carboximidamides
  • hydrocarbon derivatives
  • imines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • secondary ketimine
  • aliphatic acyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic 1,3-dipolar compound
  • carboximidamide
  • propargyl-type 1,3-dipolar organic compound