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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:59:06 UTC
Update Date2025-03-25 01:15:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02337204
Frequency0.5
Structure
Chemical FormulaC4H12N2O
Molecular Mass104.095
SMILESNCCCNCO
InChI KeyKWFKYDVHKVXRHZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent hemiaminals
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • dialkylamines
  • hydrocarbon derivatives
  • monoalkylamines
  • organopnictogen compounds
  • primary alcohols
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • secondary amine
  • hemiaminal
  • organic oxygen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • primary alcohol
  • organooxygen compound