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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:56 UTC
Update Date2025-03-25 00:47:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02162273
Frequency0.5
Structure
Chemical FormulaC11H17N
Molecular Mass163.1361
SMILESC=CC1(C=C)CN2CCCC1C2
InChI KeyNHYJADBHGJXEPY-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
  • piperidines
  • trialkylamines
    • Substituents
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • aliphatic heteropolycyclic compound
  • azepane
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • piperidine
  • amine
  • tertiary amine