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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:44 UTC
Update Date2025-03-25 01:01:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02251079
Frequency0.5
Structure
Chemical FormulaC12H20O5S
Molecular Mass276.1031
SMILESO=C(O)CCCCC1SCC2C(O)C(O)C(O)C12
InChI KeyYTEDDIUNAGXOHC-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
  • carbonyl compounds
  • carboxylic acids
  • cyclic alcohols and derivatives
  • dialkylthioethers
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • monocarboxylic acids and derivatives
  • organic oxides
  • secondary alcohols
  • thiolanes
    • Substituents
  • thiolane
  • alcohol
  • fatty acyl
  • carbonyl group
  • carboxylic acid
  • heterocyclic fatty acid
  • dialkylthioether
  • fatty acid
  • cyclic alcohol
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • aliphatic heteropolycyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • thioether
  • secondary alcohol
  • hydrocarbon derivative
  • medium-chain fatty acid
  • hydroxy fatty acid
  • organoheterocyclic compound
  • organooxygen compound