Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:51:41 UTC
Update Date2025-03-21 18:03:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00042561
Frequency80.2
Structure
Chemical FormulaC8H20NO+
Molecular Mass146.1539
SMILESCCCC(O)C[N+](C)(C)C
InChI KeyMPEWHIUOQLGJRM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass quaternary ammonium salts
Direct Parent cholines
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • amines
  • hydrocarbon derivatives
  • organic cations
  • organic salts
  • organopnictogen compounds
  • secondary alcohols
  • tetraalkylammonium salts
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • tetraalkylammonium salt
  • 1,2-aminoalcohol
  • organic oxygen compound
  • choline
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic cation
  • organic salt
  • amine
  • organooxygen compound