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Record Information
HMDB Statusquantified
Creation Date2024-02-20 23:36:32 UTC
Update Date2025-03-21 17:57:21 UTC
HMDB IDHMDB0001934
Metabolite Identification
DeepMet IDDMID00007355
NameNicotine
Frequency688.0
Structure
Chemical FormulaC10H14N2
Molecular Mass162.1157
SMILESCN1CCCC1c1cccnc1
InChI KeySNICXCGAKADSCV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyrrolidinylpyridines
Direct Parent pyrrolidinylpyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkaloids and derivatives
  • aralkylamines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • trialkylamines
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • n-alkylpyrrolidine
  • pyrrolidinylpyridine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • methylpyridine
  • aralkylamine
  • alkaloid or derivatives
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • amine
  • tertiary amine