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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:46:03 UTC
Update Date2025-03-24 14:34:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00880811
Frequency1.7
Structure
Chemical FormulaC4H8N2O
Molecular Mass100.0637
SMILESNC1CC(O)C=N1
InChI KeyBCPMIJPVVZRMCL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrrolines
Direct Parent pyrrolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • imines
  • monoalkylamines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • azacycle
  • imine
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • pyrroline
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound