Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:10 UTC
Update Date2025-03-25 00:54:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02203902
Frequency0.5
Structure
Chemical FormulaC6H12N2
Molecular Mass112.1
SMILESC1CC2CNCC1N2
InChI KeyLKDJYZBKCVSODK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazepanes
Subclass azepanes
Direct Parent azepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • piperazines
  • pyrrolidines
  • Substituents
  • secondary aliphatic amine
  • azacycle
  • secondary amine
  • aliphatic heteropolycyclic compound
  • azepane
  • piperazine
  • 1,4-diazinane
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • amine