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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:02:51 UTC
Update Date2025-03-25 00:33:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02068718
Frequency0.6
Structure
Chemical FormulaC5H10ClN
Molecular Mass119.0502
SMILESCN1CCCC1Cl
InChI KeyYMRVQJCPSFERMH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass n-alkylpyrrolidines
Direct Parent n-alkylpyrrolidines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alkyl chlorides
  • azacyclic compounds
  • hydrocarbon derivatives
  • organochlorides
  • organopnictogen compounds
  • trialkylamines
    • Substituents
  • azacycle
  • n-alkylpyrrolidine
  • alkyl chloride
  • organochloride
  • tertiary aliphatic amine
  • organohalogen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine