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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:29 UTC
Update Date2025-03-25 00:58:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02229851
Frequency0.5
Structure
Chemical FormulaC12H19N
Molecular Mass177.1518
SMILESCCCC=CC=CC1=NCCCC1
InChI KeyGFQZSSSHTUQNHX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass hydropyridines
Direct Parent tetrahydropyridines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • ketimines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • ketimine
  • azacycle
  • imine
  • tetrahydropyridine
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound