Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:35 UTC
Update Date2025-03-25 00:50:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02182148
Frequency0.5
Structure
Chemical FormulaC8H16NO2+
Molecular Mass158.1176
SMILESOC1CC[N+]2(CCC(O)C2)C1
InChI KeyLTAHKYDYRKJESX-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
  • secondary alcohols
  • tetraalkylammonium salts
  • Substituents
  • alcohol
  • tetraalkylammonium salt
  • azacycle
  • n-alkylpyrrolidine
  • 1,2-aminoalcohol
  • quaternary ammonium salt
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic salt
  • amine
  • organooxygen compound