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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:57:44 UTC
Update Date2025-03-24 19:49:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01052714
Frequency1.3
Structure
Chemical FormulaC3H5NO3S
Molecular Mass134.999
SMILESNC(=O)C(S)C(=O)O
InChI KeyKCRLLTAUMWFTOP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent 1,3-dicarbonyl compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkylthiols
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfur compounds
  • primary carboxylic acid amides
    • Substituents
  • primary carboxylic acid amide
  • aliphatic acyclic compound
  • carboxylic acid
  • organosulfur compound
  • carboxamide group
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • 1,3-dicarbonyl compound
  • alkylthiol