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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:49 UTC
Update Date2025-03-25 00:46:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157613
Frequency0.5
Structure
Chemical FormulaC7H8N2O4S
Molecular Mass216.0205
SMILESO=C(O)CCC1C(=O)NC(=S)NC1=O
InChI KeyBQVNSVQCIXGSAT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent barbituric acid derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • azacyclic compounds
  • carboxylic acids
  • diazinanes
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • thiobarbituric acid derivatives
  • thioureas
    • Substituents
  • carbonyl group
  • thiourea
  • carboxylic acid
  • azacycle
  • barbiturate
  • organosulfur compound
  • carboxylic acid derivative
  • thiobarbiturate
  • 1,3-diazinane
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • 1,3-dicarbonyl compound
  • organooxygen compound