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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:26 UTC
Update Date2025-03-25 01:01:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02248122
Frequency0.5
Structure
Chemical FormulaC13H17N4O7P
Molecular Mass372.0835
SMILESCc1cn(C2CC(O)C(COP(=O)(O)O)O2)c2ncnc(N)c2c1=O
InChI KeyGARKOXPWZNYVTP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent pentose phosphates
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • imidolactams
  • monoalkyl phosphates
  • monosaccharides
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • polyhalopyridines
  • primary amines
  • pyrido[2,3-d]pyrimidines
  • pyrimidines and pyrimidine derivatives
  • secondary alcohols
  • tetrahydrofurans
  • vinylogous amides
    • Substituents
  • pentose phosphate
  • polyhalopyridine
  • pyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • pyridopyrimidine
  • organopnictogen compound
  • 2-halopyridine
  • imidolactam
  • organoheterocyclic compound
  • alcohol
  • vinylogous amide
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • hydroxypyridine
  • oxacycle
  • pyridine
  • pyrido[2,3-d]pyrimidine
  • phosphoric acid ester
  • monoalkyl phosphate
  • secondary alcohol
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • amine
  • alkyl phosphate