Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:25:58 UTC
Update Date2025-03-21 22:18:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00546842
Frequency3.0
Structure
Chemical FormulaC8H16N+
Molecular Mass126.1277
SMILESC[N+]1(C)CCC=CCC1
InChI KeyMZONNYQXEPJUFR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazepines
Subclass azepines
Direct Parent azepines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • amines
  • azacyclic compounds
  • hydrocarbon derivatives
  • organic cations
  • organic salts
  • organopnictogen compounds
  • tetraalkylammonium salts
  • Substituents
  • tetraalkylammonium salt
  • azacycle
  • quaternary ammonium salt
  • azepine
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic salt
  • amine