Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:56:51 UTC
Update Date2025-03-21 18:05:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00054688
Frequency58.7
Structure
Chemical FormulaC8H12N2
Molecular Mass136.1
SMILESNCCCc1cccnc1
InChI KeyCORPZWBVJRCLMW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyridines and derivatives
Direct Parent pyridines and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • pyridine
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound