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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:23 UTC
Update Date2025-03-21 18:39:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00125550
Frequency20.4
Structure
Chemical FormulaC6H10O4S
Molecular Mass178.03
SMILESO=C(O)CCC(=O)C(O)CS
InChI KeySCEVLOJLRMKMBU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classketo acids and derivatives
Subclass medium-chain keto acids and derivatives
Direct Parent medium-chain keto acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acyloins
  • alkylthiols
  • alpha-hydroxy ketones
  • carboxylic acids
  • fatty acyls
  • gamma-keto acids and derivatives
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organosulfur compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • monosaccharide
  • organosulfur compound
  • alpha-hydroxy ketone
  • carboxylic acid derivative
  • gamma-keto acid
  • ketone
  • saccharide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • acyloin
  • secondary alcohol
  • hydrocarbon derivative
  • hydroxy fatty acid
  • alkylthiol
  • organooxygen compound
  • medium-chain keto acid