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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:37:53 UTC
Update Date2025-03-24 20:50:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01581486
Frequency0.8
Structure
Chemical FormulaC4H9N3
Molecular Mass99.0796
SMILESN=C=NCCCN
InChI KeyVQDXQECDZXHUQT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass carbodiimides
Direct Parent carbodiimides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • imines
  • monoalkylamines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • imine
  • organopnictogen compound
  • hydrocarbon derivative
  • organic 1,3-dipolar compound
  • primary aliphatic amine
  • carbodiimide
  • propargyl-type 1,3-dipolar organic compound