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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:52 UTC
Update Date2025-03-25 00:54:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02207822
Frequency0.5
Structure
Chemical FormulaC12H14N7O7P
Molecular Mass399.0692
SMILESNc1ncnc2c3n(C4OC(COP(=O)(O)O)C(O)C4O)ncnc-3nc12
InChI KeyJJZUYNJUZATQNE-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
  • 1,2,4-triazines
  • 1,2-diols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • monoalkyl phosphates
  • monosaccharides
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • primary amines
  • pyrimidines and pyrimidine derivatives
  • pyrroles
  • pyrrolopyrimidines
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • pentose phosphate
  • pentose-5-phosphate
  • pyrimidine
  • pyrrolopyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • imidolactam
  • organoheterocyclic compound
  • 1,2-diol
  • alcohol
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • oxacycle
  • phosphoric acid ester
  • monoalkyl phosphate
  • pyrrole
  • secondary alcohol
  • triazine
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • 1,2,4-triazine
  • organic phosphoric acid derivative
  • amine
  • alkyl phosphate