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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:31:31 UTC
Update Date2025-03-24 21:13:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01709684
Frequency0.7
Structure
Chemical FormulaC9H18N+
Molecular Mass140.1434
SMILESC[N+]12CCCCC(CC1)C2
InChI KeySWOIZRCOALDZDL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazepanes
Subclass azepanes
Direct Parent azepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • amines
  • azacyclic compounds
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organic cations
  • organic salts
  • organopnictogen compounds
  • tetraalkylammonium salts
    • Substituents
  • tetraalkylammonium salt
  • azacycle
  • n-alkylpyrrolidine
  • quaternary ammonium salt
  • aliphatic heteropolycyclic compound
  • azepane
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic salt
  • pyrrolidine
  • amine