Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:58:34 UTC
Update Date2025-03-24 22:26:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01199142
Frequency1.1
Structure
Chemical FormulaC7H14NO+
Molecular Mass128.107
SMILESC=C(C(C)=O)[N+](C)(C)C
InChI KeyHDGDSEYZJLBLFH-UHFFFAOYSA-N
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
  • amines
  • enones
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • quaternary ammonium salts
  • Substituents
  • alpha-branched alpha,beta-unsaturated-ketone
  • aliphatic acyclic compound
  • quaternary ammonium salt
  • ketone
  • organic oxide
  • alpha-aminoketone
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • acryloyl-group
  • organic nitrogen compound
  • organic cation
  • organic salt
  • amine
  • enone