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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:34:44 UTC
Update Date2025-03-24 21:41:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01860007
Frequency0.7
Structure
Chemical FormulaC5H8N2O
Molecular Mass112.0637
SMILESCCCN=C(O)C#N
InChI KeyFSYVTBOMYFSZNA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass organic cyanides
Direct Parent cyanohydrins
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha-hydroxynitriles
  • carboximidic acids
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • carboximidic acid
  • organic 1,3-dipolar compound
  • cyanohydrin
  • propargyl-type 1,3-dipolar organic compound
  • organic oxygen compound
  • alpha-hydroxynitrile
  • organopnictogen compound
  • hydrocarbon derivative
  • organooxygen compound