Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:24 UTC
Update Date2025-03-25 00:47:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163365
Frequency0.5
Structure
Chemical FormulaC4H9O6PS
Molecular Mass215.9857
SMILESO=C(O)C(CO)COP(O)(O)=S
InChI KeyMMLRTBWRODYHSR-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
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • primary alcohols
  • thiophosphate monoesters
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • thiophosphoric acid ester
  • carboxylic acid derivative
  • thiophosphate monoester
  • organic thiophosphoric acid or derivatives
  • beta-hydroxy acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • primary alcohol
  • organooxygen compound