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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:47:22 UTC
Update Date2025-03-24 14:03:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00740268
Frequency2.1
Structure
Chemical FormulaC4H11N3O
Molecular Mass117.0902
SMILESCC(N)N=C(O)CN
InChI KeyXERKNAOMMZBMHD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboximidic acids and derivatives
Subclass carboximidic acids
Direct Parent carboximidic acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • carboximidic acid
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic 1,3-dipolar compound
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound
  • propargyl-type 1,3-dipolar organic compound