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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:44:02 UTC
Update Date2025-03-24 22:12:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02024251
Frequency0.6
Structure
Chemical FormulaC8H16N+
Molecular Mass126.1277
SMILESC=C[N+](C)(C)CC=CC
InChI KeyYPMMUAQWRIKREX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass quaternary ammonium salts
Direct Parent quaternary ammonium salts
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • amines
  • hydrocarbon derivatives
  • organic cations
  • organic salts
  • organopnictogen compounds
    • Substituents
  • aliphatic acyclic compound
  • quaternary ammonium salt
  • organopnictogen compound
  • hydrocarbon derivative
  • organic cation
  • organic salt
  • amine