Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:53:37 UTC
Update Date2025-03-21 18:03:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00047274
Frequency70.5
Structure
Chemical FormulaC5H13ClN+
Molecular Mass122.0731
SMILESC[N+](C)(C)CCCl
InChI KeyJUZXDNPBRPUIOR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass quaternary ammonium salts
Direct Parent tetraalkylammonium salts
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl chlorides
  • amines
  • hydrocarbon derivatives
  • organic cations
  • organic salts
  • organochlorides
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • tetraalkylammonium salt
  • alkyl chloride
  • organochloride
  • organohalogen compound
  • organopnictogen compound
  • alkyl halide
  • hydrocarbon derivative
  • organic cation
  • organic salt
  • amine