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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:17:56 UTC
Update Date2025-03-24 16:46:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00957624
Frequency1.5
Structure
Chemical FormulaC6H11NO2
Molecular Mass129.079
SMILESCC(C)NCC(O)=C=O
InChI KeyNGTBAKXYNQQSKK-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