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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:38 UTC
Update Date2025-03-25 00:52:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02193534
Frequency0.5
Structure
Chemical FormulaC13H27N2O+
Molecular Mass227.2118
SMILESCCCCC=CCC(O)=NCC[N+](C)(C)C
InChI KeyANOSZJJARGWTGC-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass quaternary ammonium salts
Direct Parent tetraalkylammonium salts
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • amines
  • carboximidic acids
  • hydrocarbon derivatives
  • organic cations
  • organic salts
  • organooxygen compounds
  • organopnictogen compounds
    • Substituents
  • aliphatic acyclic compound
  • carboximidic acid
  • tetraalkylammonium salt
  • organic oxygen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic cation
  • organic salt
  • amine
  • organooxygen compound