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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:45:55 UTC
Update Date2025-03-25 00:48:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02169120
Frequency0.5
Structure
Chemical FormulaC8H13N5OS
Molecular Mass227.0841
SMILESCCCSc1nc(N)c(NC=O)c(N)n1
InChI KeyLLOVSJULEOIGFH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass n-arylamides
Direct Parent n-arylamides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkylarylthioethers
  • amino acids and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organic oxides
  • organopnictogen compounds
  • primary amines
  • pyrimidines and pyrimidine derivatives
  • secondary carboxylic acid amides
  • sulfenyl compounds
    • Substituents
  • carbonyl group
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • n-arylamide
  • alkylarylthioether
  • organosulfur compound
  • carboxylic acid derivative
  • aryl thioether
  • pyrimidine
  • organic oxide
  • organopnictogen compound
  • imidolactam
  • organoheterocyclic compound
  • sulfenyl compound
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • thioether
  • hydrocarbon derivative
  • primary amine
  • amine
  • organooxygen compound