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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:39 UTC
Update Date2025-03-21 18:39:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00123837
Frequency20.8
Structure
Chemical FormulaC9H15N3
Molecular Mass165.1266
SMILESCN1CCCC1Cn1ccnc1
InChI KeyXJULQKUSPMDLAB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass imidazoles
Direct Parent n-substituted imidazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • trialkylamines
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • n-alkylpyrrolidine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • amine
  • tertiary amine
  • n-substituted imidazole