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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:32:18 UTC
Update Date2025-03-21 22:49:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00561824
Frequency2.9
Structure
Chemical FormulaC4H6O2S
Molecular Mass118.0088
SMILESC=C(O)C(=O)CS
InChI KeyFUSIOCYKXYMTRD-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
  • alkylthiols
  • alpha-hydroxy ketones
  • enones
  • hydrocarbon derivatives
  • organic oxides
  • organosulfur compounds
    • Substituents
  • alpha-branched alpha,beta-unsaturated-ketone
  • aliphatic acyclic compound
  • organosulfur compound
  • alpha-hydroxy ketone
  • ketone
  • organic oxide
  • hydrocarbon derivative
  • acryloyl-group
  • alkylthiol
  • enone