Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:48:31 UTC
Update Date2025-03-21 20:04:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00316041
Frequency6.2
Structure
Chemical FormulaC8H13N2+
Molecular Mass137.1073
SMILESC[n+]1ccc(CCN)cc1
InChI KeyAWNUTWIWJYKKED-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass methylpyridines
Direct Parent n-methylpyridinium compounds
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • organic cations
  • organonitrogen compounds
  • organopnictogen compounds
  • pyridines and derivatives
  • Substituents
  • n-methylpyridinium
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organic cation