Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:17 UTC
Update Date2025-03-25 00:47:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02160827
Frequency0.5
Structure
Chemical FormulaC5H8N4O3S
Molecular Mass204.0317
SMILESNc1ncc(CS(=O)(=O)O)c(N)n1
InChI KeyVXZIBAJKYXJOGT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidines and pyrimidine derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organic oxides
  • organopnictogen compounds
  • organosulfonic acids
  • primary amines
  • sulfonyls
  • Substituents
  • organosulfonic acid or derivatives
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • organosulfonic acid
  • organosulfur compound
  • pyrimidine
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • imidolactam
  • amine