Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:43:31 UTC
Update Date2025-03-24 20:27:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01450740
Frequency0.9
Structure
Chemical FormulaC5H13ClNO+
Molecular Mass138.068
SMILESC[N+](C)(C)C(O)CCl
InChI KeyHMRSLSFKKMZNRW-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
  • chlorohydrins
  • hemiaminals
  • hydrocarbon derivatives
  • organic cations
  • organic salts
  • organochlorides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • chlorohydrin
  • tetraalkylammonium salt
  • halohydrin
  • alkyl chloride
  • organochloride
  • organohalogen compound
  • hemiaminal
  • organic oxygen compound
  • organopnictogen compound
  • alkyl halide
  • hydrocarbon derivative
  • organic cation
  • organic salt
  • organooxygen compound
  • alkanolamine