Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:41:40 UTC
Update Date2025-03-24 22:11:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02018582
Frequency0.6
Structure
Chemical FormulaC9H17N
Molecular Mass139.1361
SMILESCN1CCC2CCC1CC2
InChI KeyJPNOIFRBVQVIKF-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
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • aliphatic heteropolycyclic compound
  • azepane
  • azacycle
  • tertiary aliphatic amine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine