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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:49 UTC
Update Date2025-03-25 00:54:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02205403
Frequency0.5
Structure
Chemical FormulaC6H8N4O2S2
Molecular Mass232.0089
SMILESNC(N)=Nc1nc(SCC(=O)O)cs1
InChI KeyMXXSIRPYDBVQJS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classthioethers
Subclass aryl thioethers
Direct Parent aryl thioethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2,4-disubstituted thiazoles
  • alkylarylthioethers
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • guanidines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • sulfenyl compounds
    • Substituents
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • guanidine
  • alkylarylthioether
  • carboxylic acid derivative
  • aryl thioether
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • azole
  • sulfenyl compound
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • 2,4-disubstituted 1,3-thiazole
  • hydrocarbon derivative
  • organic nitrogen compound
  • thiazole
  • organooxygen compound