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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:20 UTC
Update Date2025-03-25 00:45:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02149580
Frequency0.5
Structure
Chemical FormulaC8H16N+
Molecular Mass126.1277
SMILESCC1CC[N+]12CCCC2
InChI KeySJFKSTGPTFHUDH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass n-alkylpyrrolidines
Direct Parent n-alkylpyrrolidines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • amines
  • azacyclic compounds
  • azetidines
  • hydrocarbon derivatives
  • organic cations
  • organic salts
  • organopnictogen compounds
  • tetraalkylammonium salts
    • Substituents
  • tetraalkylammonium salt
  • azacycle
  • n-alkylpyrrolidine
  • quaternary ammonium salt
  • azetidine
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic salt
  • amine