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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:22:27 UTC
Update Date2025-03-21 18:37:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00116292
Frequency22.6
Structure
Chemical FormulaC6H12O4S
Molecular Mass180.0456
SMILESO=C(O)C(O)CCC(O)CS
InChI KeyJIVUQQAPKJQEMD-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
  • alkylthiols
  • alpha hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organosulfur compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • alpha-hydroxy acid
  • monosaccharide
  • fatty acid
  • organosulfur compound
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • saccharide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • medium-chain fatty acid
  • hydroxy fatty acid
  • alkylthiol
  • organooxygen compound