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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:26 UTC
Update Date2025-03-25 00:52:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02193099
Frequency0.5
Structure
Chemical FormulaC10H19NO2S
Molecular Mass217.1136
SMILESCCCC=CC(CSCCN)C(=O)O
InChI KeyMCZIFQWIFHFRNX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acids and conjugates
Direct Parent medium-chain fatty acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • branched fatty acids
  • carbonyl compounds
  • carboxylic acids
  • dialkylthioethers
  • fatty acyls
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • sulfenyl compounds
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • sulfenyl compound
  • dialkylthioether
  • organosulfur compound
  • carboxylic acid derivative
  • branched fatty acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • thioether
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • medium-chain fatty acid
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound