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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:12:55 UTC
Update Date2025-03-25 00:36:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02092661
Frequency0.6
Structure
Chemical FormulaC5H8O2S
Molecular Mass132.0245
SMILESC=C(O)C(=O)CSC
InChI KeyQYKBGZWFMYCYCJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-branched alpha,beta-unsaturated ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acryloyl compounds
  • alpha-hydroxy ketones
  • dialkylthioethers
  • enones
  • hydrocarbon derivatives
  • organic oxides
  • sulfenyl compounds
    • Substituents
  • alpha-branched alpha,beta-unsaturated-ketone
  • aliphatic acyclic compound
  • sulfenyl compound
  • dialkylthioether
  • organosulfur compound
  • alpha-hydroxy ketone
  • ketone
  • organic oxide
  • thioether
  • hydrocarbon derivative
  • acryloyl-group
  • enone