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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:17 UTC
Update Date2025-03-25 01:01:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250057
Frequency0.5
Structure
Chemical FormulaC9H20NO2S+
Molecular Mass206.1209
SMILESC[N+](C)(C)CCCSCCC(=O)O
InChI KeyWQFILJNUQZARIK-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass quaternary ammonium salts
Direct Parent tetraalkylammonium salts
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • amines
  • carbonyl compounds
  • carboxylic acids
  • dialkylthioethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • sulfenyl compounds
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • sulfenyl compound
  • tetraalkylammonium salt
  • dialkylthioether
  • organosulfur compound
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • thioether
  • organopnictogen compound
  • hydrocarbon derivative
  • organic cation
  • organic salt
  • amine
  • organooxygen compound