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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:40 UTC
Update Date2025-03-25 00:54:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02207324
Frequency0.5
Structure
Chemical FormulaC10H13ClN5O6P
Molecular Mass365.0292
SMILESNc1nc2c(ncn2C2CC(Cl)C(COP(=O)(O)O)O2)c(=O)[nH]1
InChI KeyKLUROMOUKCBUIU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classimidazopyrimidines
Subclass purines and purine derivatives
Direct Parent hypoxanthines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl chlorides
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • lactams
  • monoalkyl phosphates
  • n-substituted imidazoles
  • organic oxides
  • organochlorides
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary amines
  • purines and purine derivatives
  • pyrimidones
  • tetrahydrofurans
  • vinylogous amides
  • Substituents
  • lactam
  • alkyl chloride
  • organochloride
  • pyrimidone
  • organohalogen compound
  • pyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • azole
  • n-substituted imidazole
  • vinylogous amide
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • oxacycle
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • hypoxanthine
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • amine
  • alkyl phosphate
  • organooxygen compound