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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:12 UTC
Update Date2025-03-25 01:01:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02247587
Frequency0.5
Structure
Chemical FormulaC9H14N3O6PS
Molecular Mass323.0341
SMILESNc1ccn(C2SC(CO)C3O[PH](O)(O)OC32)c(=O)n1
InChI KeySKIPVQZYIPHIGI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkylthioethers
  • dioxaphospholanes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • primary amines
  • thiolanes
  • Substituents
  • thiolane
  • pyrimidone
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • primary alcohol
  • imidolactam
  • alcohol
  • carbonic acid derivative
  • azacycle
  • dialkylthioether
  • heteroaromatic compound
  • 1,3_dioxaphospholane
  • oxacycle
  • organic oxygen compound
  • thioether
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound