Hmdb loader
Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:40:22 UTC
Update Date2025-03-21 17:58:42 UTC
HMDB IDHMDB0001252
Metabolite Identification
DeepMet IDDMID00016188
NameBetaine aldehyde
Frequency264.8
Structure
Chemical FormulaC5H12NO+
Molecular Mass102.0913
SMILESC[N+](C)(C)CC=O
InChI KeySXKNCCSPZDCRFD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass quaternary ammonium salts
Direct Parent tetraalkylammonium salts
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • aldehydes
  • amines
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • tetraalkylammonium salt
  • aldehyde
  • organic oxide
  • organic oxygen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic cation
  • organic salt
  • amine
  • organooxygen compound