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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:59 UTC
Update Date2025-03-25 00:49:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02176182
Frequency0.5
Structure
Chemical FormulaC9H15NO2
Molecular Mass169.1103
SMILESC=C(O)CNC(=C=O)CCCC
InChI KeyIXQWKECETIBPCQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent alkanolamines
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • dialkylamines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • ynolates
    • Substituents
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • secondary amine
  • organic oxide
  • organic oxygen compound
  • ynolate
  • organopnictogen compound
  • hydrocarbon derivative
  • organooxygen compound
  • alkanolamine