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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:48 UTC
Update Date2025-03-25 00:47:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159780
Frequency0.5
Structure
Chemical FormulaC11H13N4O10P
Molecular Mass392.0369
SMILESO=c1cnc2c(O)nc(O)nc2n1C1OC(COP(=O)(O)O)C(O)C1O
InChI KeyMJSKOXMYCDKYDP-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-diols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyrimidines
  • lactams
  • monoalkyl phosphates
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • pteridines and derivatives
  • pyrazines
  • secondary alcohols
  • tetrahydrofurans
  • Substituents
  • lactam
  • pentose phosphate
  • pentose-5-phosphate
  • hydroxypyrimidine
  • pteridine
  • pyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • 1,2-diol
  • alcohol
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • oxacycle
  • phosphoric acid ester
  • monoalkyl phosphate
  • pyrazine
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate