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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:45 UTC
Update Date2025-03-25 00:54:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02207510
Frequency0.5
Structure
Chemical FormulaC8H10N3O5PS
Molecular Mass291.0079
SMILESNc1ccn(C2OCC3OP(O)(=S)OC32)c(=O)n1
InChI KeyHXPDAJSHHYFCNE-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
  • dioxaphospholanes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organic carbonic acids and derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary amines
  • tetrahydrofurans
  • thiophosphate diesters
  • Substituents
  • carbonic acid derivative
  • azacycle
  • tetrahydrofuran
  • thiophosphoric acid ester
  • heteroaromatic compound
  • pyrimidone
  • 1,3_dioxaphospholane
  • thiophosphate diester
  • organic thiophosphoric acid or derivatives
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • imidolactam
  • amine
  • organooxygen compound