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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:11 UTC
Update Date2025-03-21 18:40:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00129871
Frequency19.6
Structure
Chemical FormulaC4H5NO3S
Molecular Mass146.999
SMILESO=C(O)C1SCNC1=O
InChI KeyDWHVMOYUGYSXJM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent 1,3-dicarbonyl compounds
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carboxylic acids
  • dialkylthioethers
  • hydrocarbon derivatives
  • lactams
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • thiazolidines
  • thiohemiaminal derivatives
    • Substituents
  • lactam
  • carboxylic acid
  • azacycle
  • dialkylthioether
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • monocarboxylic acid or derivatives
  • thioether
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • hemithioaminal
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • 1,3-dicarbonyl compound
  • organoheterocyclic compound
  • thiazolidine