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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:10 UTC
Update Date2025-03-21 18:36:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00110734
Frequency24.1
Structure
Chemical FormulaC17H21N4O9P
Molecular Mass456.1046
SMILESCc1cc2nc3c(=O)[nH]c(=O)nc-3c=2n(CC(O)C(O)C(O)COP(=O)(O)O)cc1C
InChI KeyODPHMBFXGLPMMS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolopyrimidines
Subclass pyrrolopyrimidines
Direct Parent pyrrolopyrimidines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • azepines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • monoalkyl phosphates
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrimidones
  • pyrroles
  • secondary alcohols
    • Substituents
  • lactam
  • pyrimidone
  • pyrimidine
  • pyrrolopyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • carbonic acid derivative
  • azacycle
  • heteroaromatic compound
  • organic oxygen compound
  • azepine
  • phosphoric acid ester
  • monoalkyl phosphate
  • pyrrole
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound