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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:40:09 UTC
Update Date2025-03-24 21:43:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01872591
Frequency0.6
Structure
Chemical FormulaC4H8N2O
Molecular Mass100.0637
SMILESN#CCC(N)CO
InChI KeyDQMOBWMCVNATOF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass organic cyanides
Direct Parent nitriles
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • primary alcohols
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • nitrile
  • organic oxygen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • primary alcohol
  • carbonitrile
  • organooxygen compound