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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:26 UTC
Update Date2025-03-25 00:58:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02229725
Frequency0.5
Structure
Chemical FormulaC9H17NO3
Molecular Mass187.1208
SMILESCCCCC(NCCO)C(O)=C=O
InChI KeyMIJAGNOQMUEXKZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent alkanolamines
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alcohols and polyols
  • dialkylamines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • ynolates
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • secondary amine
  • organic oxide
  • organic oxygen compound
  • ynolate
  • organopnictogen compound
  • hydrocarbon derivative
  • organooxygen compound
  • alkanolamine