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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:22:18 UTC
Update Date2025-03-24 22:02:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01972099
Frequency0.6
Structure
Chemical FormulaC4H9N3O
Molecular Mass115.0746
SMILESCC(=O)N=C(N)CN
InChI KeyAAGJZNSVIBIEAW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass imines
Direct Parent n-acylimines
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • n-acylimine
  • aliphatic acyclic compound
  • carbonyl group
  • organic 1,3-dipolar compound
  • carboximidamide
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organooxygen compound