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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:12 UTC
Update Date2025-03-21 18:36:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00110855
Frequency24.0
Structure
Chemical FormulaC6H13NO2S
Molecular Mass163.0667
SMILESCN(C)CCSCC(=O)O
InChI KeyWLKADMLMRXJDKL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent trialkylamines
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • amino acids
  • carbonyl compounds
  • carboxylic acids
  • dialkylthioethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • sulfenyl compounds
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • sulfenyl compound
  • amino acid or derivatives
  • amino acid
  • dialkylthioether
  • tertiary aliphatic amine
  • organosulfur compound
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • thioether
  • organopnictogen compound
  • hydrocarbon derivative
  • organooxygen compound