Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:31:54 UTC
Update Date2025-03-24 20:21:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01423798
Frequency0.9
Structure
Chemical FormulaC4H6O3S
Molecular Mass134.0038
SMILESO=CC(=O)C(O)CS
InChI KeyNFNLSEIICIXYDT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acyloins
  • alkylthiols
  • alpha ketoaldehydes
  • alpha-hydroxy ketones
  • beta-hydroxy aldehydes
  • hydrocarbon derivatives
  • organic oxides
  • organosulfur compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • beta-hydroxy aldehyde
  • carbonyl group
  • monosaccharide
  • aldehyde
  • organosulfur compound
  • alpha-hydroxy ketone
  • ketone
  • organic oxide
  • acyloin
  • secondary alcohol
  • hydrocarbon derivative
  • alkylthiol
  • alpha-ketoaldehyde