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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:29 UTC
Update Date2025-03-21 18:39:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00125820
Frequency20.4
Structure
Chemical FormulaC13H17N4O2S2+
Molecular Mass325.0787
SMILESCc1ncc(C[n+]2csc(CSCC(=O)O)c2C)c(N)n1
InChI KeyACDLMPPQIOLBMU-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass thiazoles
Direct Parent 4,5-disubstituted thiazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dialkylthioethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organopnictogen compounds
  • primary amines
  • pyrimidines and pyrimidine derivatives
  • sulfenyl compounds
    • Substituents
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • amino acid
  • organosulfur compound
  • carboxylic acid derivative
  • pyrimidine
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organic cation
  • imidolactam
  • sulfenyl compound
  • azacycle
  • dialkylthioether
  • heteroaromatic compound
  • 4,5-disubstituted 1,3-thiazole
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • thioether
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound