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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:13:49 UTC
Update Date2025-03-21 18:33:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00095133
Frequency41.5
Structure
Chemical FormulaC4H9O7PS
Molecular Mass231.9807
SMILESO=C(O)C(O)C(O)COP(O)(O)=S
InChI KeyOWIHAIJLAIFDSK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass beta hydroxy acids and derivatives
Direct Parent beta hydroxy acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,2-diols
  • alpha hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • fatty acids and conjugates
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • secondary alcohols
  • short-chain hydroxy acids and derivatives
  • thiophosphate monoesters
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • thiophosphoric acid ester
  • alpha-hydroxy acid
  • monosaccharide
  • fatty acid
  • carboxylic acid derivative
  • thiophosphate monoester
  • organic thiophosphoric acid or derivatives
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound
  • 1,2-diol