Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:34:51 UTC
Update Date2025-03-24 20:48:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01574418
Frequency0.8
Structure
Chemical FormulaC8H13N
Molecular Mass123.1048
SMILESC1=CN2CCCC1CC2
InChI KeyVPLKHGQNMBHEGP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazepanes
Subclass azepanes
Direct Parent azepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • azepines
  • enamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • tetrahydropyridines
  • trialkylamines
  • Substituents
  • azacycle
  • tertiary aliphatic amine
  • tetrahydropyridine
  • aliphatic heteropolycyclic compound
  • azepane
  • azepine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • enamine