Hmdb loader

Showing information for DMID02531576

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 17:22:44 UTC
Update Date2025-03-25 01:49:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02531576
Frequency0.5
Structure
Chemical FormulaC9H16N+
Molecular Mass138.1277
SMILESC=CC1C[N+]2(C)CCCC12
InChI KeyJFAHECXZOKQVRF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazepanes
Subclass azepanes
Direct Parent azepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • amines
  • azacyclic compounds
  • azetidines
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organic cations
  • organic salts
  • organopnictogen compounds
  • tetraalkylammonium salts
    • Substituents
  • tetraalkylammonium salt
  • azacycle
  • n-alkylpyrrolidine
  • quaternary ammonium salt
  • azetidine
  • aliphatic heteropolycyclic compound
  • azepane
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic salt
  • pyrrolidine
  • amine