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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:56 UTC
Update Date2025-03-25 01:01:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02246986
Frequency0.5
Structure
Chemical FormulaC7H12O3S
Molecular Mass176.0507
SMILESCC=CC(=O)C(O)C(O)CS
InChI KeyKZHKHTWCFHBXSH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent b'-hydroxy-alpha,beta-unsaturated ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,2-diols
  • acryloyl compounds
  • acyloins
  • alkylthiols
  • alpha-hydroxy ketones
  • beta-hydroxy ketones
  • enones
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • organosulfur compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • beta-hydroxy ketone
  • aliphatic acyclic compound
  • b'-hydroxy-alpha,beta-unsaturated-ketone
  • monosaccharide
  • organosulfur compound
  • alpha-hydroxy ketone
  • ketone
  • saccharide
  • organic oxide
  • acyloin
  • secondary alcohol
  • hydrocarbon derivative
  • acryloyl-group
  • alkylthiol
  • 1,2-diol
  • enone