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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:54 UTC
Update Date2025-03-25 00:46:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153245
Frequency0.5
Structure
Chemical FormulaC11H18N6O2S2
Molecular Mass330.0933
SMILESNC(=O)CCC(=O)NCCSCc1csc(N=C(N)N)n1
InChI KeyYNKPVEXCEXBMIX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass thiazoles
Direct Parent 2,4-disubstituted thiazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylthioethers
  • guanidines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • n-acyl amines
  • organic oxides
  • organopnictogen compounds
  • primary carboxylic acid amides
  • propargyl-type 1,3-dipolar organic compounds
  • secondary carboxylic acid amides
  • sulfenyl compounds
    • Substituents
  • primary carboxylic acid amide
  • fatty acyl
  • carbonyl group
  • aromatic heteromonocyclic compound
  • guanidine
  • fatty amide
  • organosulfur compound
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • sulfenyl compound
  • azacycle
  • dialkylthioether
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • carboxamide group
  • n-acyl-amine
  • secondary carboxylic acid amide
  • organic oxygen compound
  • thioether
  • 2,4-disubstituted 1,3-thiazole
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound