Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:45:56 UTC
Update Date2025-03-25 00:24:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01313333
Frequency1.0
Structure
Chemical FormulaC9H18N+
Molecular Mass140.1434
SMILESC[N+]12CCCC(CC1)CC2
InChI KeySLBQSBAAXJHKRR-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
  • organic cations
  • organic salts
  • organopnictogen compounds
  • piperidines
  • tetraalkylammonium salts
  • Substituents
  • tetraalkylammonium salt
  • azacycle
  • quaternary ammonium salt
  • aliphatic heteropolycyclic compound
  • azepane
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic salt
  • piperidine
  • amine