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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:41:49 UTC
Update Date2025-03-24 20:51:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01590477
Frequency0.8
Structure
Chemical FormulaC4H12N4O
Molecular Mass132.1011
SMILESCNC(N)N=C(O)CN
InChI KeyUPICCYGEGZNRBU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorthocarboxylic acid derivatives
Subclass orthocarboxylic acid derivatives
Direct Parent orthocarboxylic acid derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carboximidic acids
  • dialkylamines
  • hydrocarbon derivatives
  • monoalkylamines
  • organooxygen compounds
  • organopnictogen compounds
  • ortho amides
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • carboximidic acid
  • ortho amide
  • organic 1,3-dipolar compound
  • secondary amine
  • propargyl-type 1,3-dipolar organic compound
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • orthocarboxylic acid derivative
  • organooxygen compound
  • amine