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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:41:37 UTC
Update Date2025-03-24 20:26:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01446592
Frequency0.9
Structure
Chemical FormulaC2H5NO3S
Molecular Mass122.999
SMILESNCS(=O)C(=O)O
InChI KeyPNUZYCLROGTFBB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiolactones
Subclass thiolactones
Direct Parent thiolactones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • sulfinyl compounds
  • sulfoxides
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carbonic acid derivative
  • organosulfur compound
  • organic oxide
  • organic oxygen compound
  • sulfinyl compound
  • organonitrogen compound
  • sulfoxide
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • thiolactone
  • organooxygen compound