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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:38:25 UTC
Update Date2025-03-21 18:47:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00153586
Frequency29.3
Structure
Chemical FormulaC9H15N3
Molecular Mass165.1266
SMILESCN1CCCC1Cc1c[nH]cn1
InChI KeyMDTDUEPHLFUADP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass n-alkylpyrrolidines
Direct Parent n-alkylpyrrolidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • organopnictogen compounds
  • trialkylamines
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • n-alkylpyrrolidine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • azole