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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:15 UTC
Update Date2025-03-25 00:46:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156363
Frequency0.5
Structure
Chemical FormulaC7H17N2O+
Molecular Mass145.1335
SMILESC[N+]1(C)CC(O)C(CN)C1
InChI KeyGXGWJSNVCIKIGO-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
  • monoalkylamines
  • 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
  • primary aliphatic amine
  • organic nitrogen compound
  • organic cation
  • organic salt
  • amine
  • organooxygen compound