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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:33 UTC
Update Date2025-03-25 00:49:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02175146
Frequency0.5
Structure
Chemical FormulaC12H25N2O+
Molecular Mass213.1961
SMILESCCCCC=CC(=O)C(N)C[N+](C)(C)C
InChI KeyNHJDCDAERSVTHC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent beta-amino ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acryloyl compounds
  • amines
  • enones
  • hydrocarbon derivatives
  • monoalkylamines
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • tetraalkylammonium salts
    • Substituents
  • aliphatic acyclic compound
  • tetraalkylammonium salt
  • quaternary ammonium salt
  • alpha,beta-unsaturated ketone
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • acryloyl-group
  • primary aliphatic amine
  • organic nitrogen compound
  • organic cation
  • beta-aminoketone
  • organic salt
  • amine
  • enone