Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:07 UTC
Update Date2025-03-25 00:45:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02151395
Frequency0.5
Structure
Chemical FormulaC6H8N4O3S
Molecular Mass216.0317
SMILESCn1c(=O)[nH]c(N)c(NC(=O)S)c1=O
InChI KeyBGYAXIUTMVTXRF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • organosulfur compounds
  • primary amines
  • thiolactones
  • vinylogous amides
  • Substituents
  • vinylogous amide
  • carbonyl group
  • carbonic acid derivative
  • lactam
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • pyrimidone
  • organosulfur compound
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • thiolactone
  • amine
  • organooxygen compound