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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:46 UTC
Update Date2025-03-25 00:59:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02235080
Frequency0.5
Structure
Chemical FormulaC15H20N5O8P
Molecular Mass429.1049
SMILESCc1cc2nc3c(=O)[nH]c(N)nc3c-2n(CC(O)C(O)C(O)COP(=O)(O)O)c1
InChI KeyPUXLVRMYFHGSOH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolopyrimidines
Subclass pyrrolopyrimidines
Direct Parent pyrrolopyrimidines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • lactams
  • monoalkyl phosphates
  • organic oxides
  • organopnictogen compounds
  • polyhalopyridines
  • primary amines
  • pyrimidones
  • pyrroles
  • secondary alcohols
    • Substituents
  • lactam
  • polyhalopyridine
  • pyrimidone
  • pyrimidine
  • pyrrolopyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • alcohol
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • pyridine
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • pyrrole
  • secondary alcohol
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • amine
  • alkyl phosphate
  • organooxygen compound