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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:07:48 UTC
Update Date2025-03-24 19:54:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01075691
Frequency1.3
Structure
Chemical FormulaC4H7N3O
Molecular Mass113.0589
SMILESCN(C)C(=N)N=C=O
InChI KeyCJBNVFSIKYMPAP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass isocyanates
Direct Parent isocyanates
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carboximidamides
  • hydrocarbon derivatives
  • imines
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • imine
  • isocyanate
  • organic 1,3-dipolar compound
  • carboximidamide
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organooxygen compound