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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:00 UTC
Update Date2025-03-25 00:56:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02219870
Frequency0.5
Structure
Chemical FormulaC8H18NO3S+
Molecular Mass208.1002
SMILESC[N+]1(C)CCCCC1CS(=O)(=O)O
InChI KeyMHPTVZMABWGRKB-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpiperidines
Subclass piperidines
Direct Parent piperidines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • amines
  • azacyclic compounds
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • organosulfonic acids
  • sulfonyls
  • tetraalkylammonium salts
    • Substituents
  • organosulfonic acid or derivatives
  • tetraalkylammonium salt
  • azacycle
  • quaternary ammonium salt
  • organosulfonic acid
  • organosulfur compound
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic salt
  • piperidine
  • amine