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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:17:37 UTC
Update Date2025-03-24 20:15:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01389284
Frequency0.9
Structure
Chemical FormulaC7H12NO2+
Molecular Mass142.0863
SMILESC[N+](C)(C)CC(=O)C=C=O
InChI KeyKMTXEEBYCHRFBU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-amino ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acryloyl compounds
  • amines
  • enones
  • hydrocarbon derivatives
  • ketenes
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • tetraalkylammonium salts
  • ynolates
    • Substituents
  • aliphatic acyclic compound
  • tetraalkylammonium salt
  • quaternary ammonium salt
  • organic oxide
  • alpha-aminoketone
  • ynolate
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • acryloyl-group
  • organic nitrogen compound
  • organic cation
  • organic salt
  • amine
  • ketene
  • enone