Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:13:11 UTC
Update Date2025-03-21 22:12:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00516196
Frequency3.3
Structure
Chemical FormulaC8H16N+
Molecular Mass126.1277
SMILESCC1=CC[N+](C)(C)CC1
InChI KeyPXMNEUSGGFYVRE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass quaternary ammonium salts
Direct Parent tetraalkylammonium salts
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • amines
  • azacyclic compounds
  • hydrocarbon derivatives
  • organic cations
  • organic salts
  • organopnictogen compounds
  • Substituents
  • tetraalkylammonium salt
  • azacycle
  • aliphatic heteromonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic cation
  • organic salt
  • amine
  • organoheterocyclic compound