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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:49 UTC
Update Date2025-03-25 00:59:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02235207
Frequency0.5
Structure
Chemical FormulaC12H16N3O10P
Molecular Mass393.0573
SMILESO=c1[nH]c(=O)n(CC(O)C(O)C(O)COP(=O)(O)O)c2nc(O)ccc12
InChI KeyIPMOEHWSNAQQGZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridopyrimidines
Subclass pyrido[2,3-d]pyrimidines
Direct Parent pyrido[2,3-d]pyrimidines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • lactams
  • monoalkyl phosphates
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • pyrimidones
  • secondary alcohols
  • vinylogous amides
    • Substituents
  • lactam
  • polyhalopyridine
  • pyrimidone
  • pyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • alcohol
  • vinylogous amide
  • carbonic acid derivative
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • pyridine
  • organic oxygen compound
  • pyrido[2,3-d]pyrimidine
  • phosphoric acid ester
  • monoalkyl phosphate
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound