Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:47:29 UTC
Update Date2025-03-21 18:50:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00175209
Frequency13.3
Structure
Chemical FormulaC9H17N
Molecular Mass139.1361
SMILESC1CCC2CCCN2CC1
InChI KeyUCAVZTHZDCOEFH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazepanes
Subclass azepanes
Direct Parent azepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • aliphatic heteropolycyclic compound
  • azepane
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • amine
  • tertiary amine