Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:23:28 UTC
Update Date2025-03-24 14:18:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00827173
Frequency1.8
Structure
Chemical FormulaC8H18NO+
Molecular Mass144.1383
SMILESCC1CC(C)(O)C[N+]1(C)C
InChI KeyFYJMUPKAYRPRNL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass n-alkylpyrrolidines
Direct Parent n-alkylpyrrolidines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • amines
  • azacyclic compounds
  • hydrocarbon derivatives
  • organic cations
  • organic salts
  • organopnictogen compounds
  • tertiary alcohols
  • tetraalkylammonium salts
  • Substituents
  • alcohol
  • tetraalkylammonium salt
  • azacycle
  • n-alkylpyrrolidine
  • 1,2-aminoalcohol
  • quaternary ammonium salt
  • tertiary alcohol
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic salt
  • amine
  • organooxygen compound