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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:06 UTC
Update Date2025-03-25 00:54:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02203763
Frequency0.5
Structure
Chemical FormulaC11H16O4S
Molecular Mass244.0769
SMILESO=C(O)CCCCC1CC2OC(=O)CC2S1
InChI KeyKVKUSKAPCGOZAA-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 acid esters
  • carboxylic acids
  • dialkylthioethers
  • dicarboxylic acids and derivatives
  • gamma butyrolactones
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • medium-chain fatty acids
  • organic oxides
  • oxacyclic compounds
  • tetrahydrofurans
  • thiolanes
    • Substituents
  • thiolane
  • fatty acyl
  • carbonyl group
  • carboxylic acid
  • tetrahydrofuran
  • heterocyclic fatty acid
  • dialkylthioether
  • fatty acid
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • gamma butyrolactone
  • lactone
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • thioether
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • medium-chain fatty acid
  • organoheterocyclic compound
  • organooxygen compound