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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:03:26 UTC
Update Date2025-03-24 21:54:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01927598
Frequency0.6
Structure
Chemical FormulaC8H16N+
Molecular Mass126.1277
SMILESC[N+]1(C)C=CCCCC1
InChI KeyHXMSAAYWOPYTIN-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
  • quaternary ammonium salts
    • Substituents
  • azacycle
  • quaternary ammonium salt
  • azepine
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic salt
  • amine