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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:43 UTC
Update Date2025-03-25 01:01:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02251040
Frequency0.5
Structure
Chemical FormulaC12H22O8S
Molecular Mass326.1035
SMILESO=C(O)CCCCCCCC(O)CCC(=O)OS(=O)(=O)O
InChI KeyPXGWJXGPWOIYNM-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 acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • organic oxides
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • alcohol
  • fatty acyl
  • aliphatic acyclic compound
  • sulfuric acid monoester
  • carbonyl group
  • carboxylic acid
  • organic sulfuric acid or derivatives
  • fatty acid
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • organic oxide
  • organic oxygen compound
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • medium-chain fatty acid
  • hydroxy fatty acid
  • sulfuric acid ester
  • organooxygen compound