Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:38:09 UTC
Update Date2025-03-24 13:59:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00718153
Frequency2.1
Structure
Chemical FormulaC8H12N+
Molecular Mass122.0964
SMILESCCC[n+]1ccccc1
InChI KeyCRTKBIFIDSNKCN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass methylpyridines
Direct Parent methylpyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic cations
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • organonitrogen compound
  • organopnictogen compound
  • methylpyridine
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation