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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:42:48 UTC
Update Date2025-03-25 00:23:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01306087
Frequency1.0
Structure
Chemical FormulaC5H8ClN
Molecular Mass117.0345
SMILESClC1=NCCCC1
InChI KeySMROVRRYNQWBFF-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
  • cyclic imidoyl halides
  • hydrocarbon derivatives
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • azacycle
  • organochloride
  • tetrahydropyridine
  • organic 1,3-dipolar compound
  • organohalogen compound
  • propargyl-type 1,3-dipolar organic compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • cyclic imidoyl halide
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound