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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:30:28 UTC
Update Date2025-03-21 18:41:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00135123
Frequency18.6
Structure
Chemical FormulaC8H12N2O6S2
Molecular Mass296.0137
SMILESO=C(CCC(O)Cc1c[nH]c(=S)[nH]1)OS(=O)(=O)O
InChI KeyQOLTZAFHVJBGSB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazolines
Subclass imidazolines
Direct Parent imidazolethiones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • sulfuric acid monoesters
  • thioureas
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • thiourea
  • aromatic heteromonocyclic compound
  • imidazole-2-thione
  • organosulfur compound
  • carboxylic acid derivative
  • organic oxide
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • azole
  • alcohol
  • organic sulfuric acid or derivatives
  • azacycle
  • heteroaromatic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • sulfuric acid ester
  • organooxygen compound