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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:54 UTC
Update Date2025-03-25 00:46:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157789
Frequency0.5
Structure
Chemical FormulaC10H16O4S
Molecular Mass232.0769
SMILESO=C(O)CCCCC1CSCC1C(=O)O
InChI KeyUNVKPHRJJHBLAN-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 heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • dialkylthioethers
  • dicarboxylic acids and derivatives
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • organic oxides
  • thiolanes
    • Substituents
  • thiolane
  • carbonyl group
  • carboxylic acid
  • heterocyclic fatty acid
  • dialkylthioether
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • thioether
  • aliphatic heteromonocyclic compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • medium-chain fatty acid
  • organoheterocyclic compound
  • organooxygen compound