Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:27:58 UTC
Update Date2025-03-24 17:49:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00981689
Frequency1.4
Structure
Chemical FormulaC7H14NO+
Molecular Mass128.107
SMILESC[N+]12CCC1CC(O)C2
InChI KeyURUKHYZMQIQXAX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazepanes
Subclass azepanes
Direct Parent azepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • amines
  • azacyclic compounds
  • azetidines
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organic cations
  • organic salts
  • organopnictogen compounds
  • secondary alcohols
  • tetraalkylammonium salts
  • Substituents
  • alcohol
  • tetraalkylammonium salt
  • azacycle
  • n-alkylpyrrolidine
  • 1,2-aminoalcohol
  • quaternary ammonium salt
  • azetidine
  • aliphatic heteropolycyclic compound
  • azepane
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic salt
  • pyrrolidine
  • amine
  • organooxygen compound