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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:20 UTC
Update Date2025-03-25 00:50:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179283
Frequency0.5
Structure
Chemical FormulaC6H10O3S2
Molecular Mass194.0071
SMILESCSCCC(S)C(=O)C(=O)O
InChI KeyAVJDBWLNFSVUOQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classketo acids and derivatives
Subclass short-chain keto acids and derivatives
Direct Parent short-chain keto acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkylthiols
  • alpha-hydroxy ketones
  • alpha-keto acids and derivatives
  • carboxylic acids
  • dialkylthioethers
  • fatty acyls
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • sulfenyl compounds
  • thia fatty acids
    • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • sulfenyl compound
  • dialkylthioether
  • short-chain keto acid
  • organosulfur compound
  • alpha-hydroxy ketone
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • monocarboxylic acid or derivatives
  • thia fatty acid
  • organic oxygen compound
  • thioether
  • alpha-keto acid
  • hydrocarbon derivative
  • alkylthiol
  • organooxygen compound