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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:33 UTC
Update Date2025-03-25 01:01:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250676
Frequency0.5
Structure
Chemical FormulaC10H17NO5S
Molecular Mass263.0827
SMILESO=C(O)CCC(=O)NCCCCC(S)C(=O)O
InChI KeyUYTIBJCVFWYTMJ-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
  • alkylthiols
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • n-acyl amines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfur compounds
  • secondary carboxylic acid amides
  • thia fatty acids
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • fatty amide
  • organosulfur compound
  • carboxamide group
  • carboxylic acid derivative
  • n-acyl-amine
  • secondary carboxylic acid amide
  • organic oxide
  • thia fatty acid
  • organic oxygen compound
  • organonitrogen compound
  • dicarboxylic acid or derivatives
  • organopnictogen compound
  • hydrocarbon derivative
  • medium-chain fatty acid
  • organic nitrogen compound
  • alkylthiol
  • organooxygen compound