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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:15 UTC
Update Date2025-03-25 00:47:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02160743
Frequency0.5
Structure
Chemical FormulaC11H15N5O12P2
Molecular Mass471.0192
SMILESNc1nc2c(ncn2C2OC(COP(=O)(O)O)C(OP(=O)(O)O)C2O)c(O)nc1=O
InChI KeyJGOQRUXKUFXWHV-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
  • 1,4-diazepines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • imidolactams
  • monoalkyl phosphates
  • monosaccharides
  • n-substituted imidazoles
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • primary amines
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • pentose phosphate
  • pentose-5-phosphate
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • imidolactam
  • organoheterocyclic compound
  • azole
  • n-substituted imidazole
  • alcohol
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • oxacycle
  • para-diazepine
  • phosphoric acid ester
  • monoalkyl phosphate
  • secondary alcohol
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • amine
  • alkyl phosphate