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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:36 UTC
Update Date2025-03-25 00:47:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163810
Frequency0.5
Structure
Chemical FormulaC14H22O6S
Molecular Mass318.1137
SMILESCC1(C)OC2C(CCCCC(=O)O)SCC(C(=O)O)C2O1
InChI KeyQZHVKWNKJYQXFU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass medium-chain hydroxy acids and derivatives
Direct Parent medium-chain hydroxy acids and derivatives
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dioxolanes
  • carbonyl compounds
  • carboxylic acids
  • dialkylthioethers
  • dicarboxylic acids and derivatives
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • ketals
  • medium-chain fatty acids
  • organic oxides
  • oxacyclic compounds
  • thianes
    • Substituents
  • fatty acyl
  • meta-dioxolane
  • carbonyl group
  • carboxylic acid
  • heterocyclic fatty acid
  • dialkylthioether
  • fatty acid
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • acetal
  • thioether
  • ketal
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • medium-chain fatty acid
  • organoheterocyclic compound
  • organooxygen compound
  • thiane