Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:18:47 UTC
Update Date2025-03-21 20:52:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00387339
Frequency4.8
Structure
Chemical FormulaC6H13ClN+
Molecular Mass134.0731
SMILESC[N+]1(C)CCCC1Cl
InChI KeyMDAKGVKKAHELBT-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
  • amines
  • azacyclic compounds
  • hydrocarbon derivatives
  • organic cations
  • organic salts
  • organochlorides
  • organopnictogen compounds
  • tetraalkylammonium salts
  • Substituents
  • tetraalkylammonium salt
  • azacycle
  • n-alkylpyrrolidine
  • alkyl chloride
  • organochloride
  • quaternary ammonium salt
  • organohalogen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic salt
  • amine