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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:30 UTC
Update Date2025-03-25 00:52:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02193222
Frequency0.5
Structure
Chemical FormulaC12H24NO2+
Molecular Mass214.1802
SMILESCCCCCC=C(O)C(=O)C[N+](C)(C)C
InChI KeyDIHUHWLXHLFXEZ-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-branched alpha,beta-unsaturated ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acryloyl compounds
  • alpha-amino ketones
  • alpha-hydroxy ketones
  • amines
  • enones
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • tetraalkylammonium salts
    • Substituents
  • alpha-branched alpha,beta-unsaturated-ketone
  • aliphatic acyclic compound
  • tetraalkylammonium salt
  • quaternary ammonium salt
  • alpha-hydroxy ketone
  • ketone
  • organic oxide
  • alpha-aminoketone
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • acryloyl-group
  • organic nitrogen compound
  • organic cation
  • organic salt
  • amine
  • enone