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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:11 UTC
Update Date2025-03-25 00:57:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02224860
Frequency0.5
Structure
Chemical FormulaC6H12N2O3S
Molecular Mass192.0569
SMILESNCCSCC(C(N)=O)C(=O)O
InChI KeyKOLODYUWPYVVEK-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
  • carboxylic acids
  • dialkylthioethers
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • primary carboxylic acid amides
  • sulfenyl compounds
    • Substituents
  • primary carboxylic acid amide
  • aliphatic acyclic compound
  • carboxylic acid
  • sulfenyl compound
  • dialkylthioether
  • organosulfur compound
  • carboxamide group
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • thioether
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • 1,3-dicarbonyl compound