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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:07 UTC
Update Date2025-03-25 00:57:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02224709
Frequency0.5
Structure
Chemical FormulaC10H12N5O7P
Molecular Mass345.0474
SMILESNc1cc2n(C3OC4COP(=O)(O)OC4C3O)cnn2c(=O)n1
InChI KeyARINLQXSXFVRQO-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
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • monosaccharides
  • organic carbonic acids and derivatives
  • organic oxides
  • organic phosphoric acids and derivatives
  • organopnictogen compounds
  • oxacyclic compounds
  • primary amines
  • pyrimidones
  • secondary alcohols
  • tetrahydrofurans
  • triazoles
  • triazolopyrimidines
  • Substituents
  • triazole
  • pentose phosphate
  • pyrimidone
  • pyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • imidolactam
  • triazolopyrimidine
  • organoheterocyclic compound
  • azole
  • alcohol
  • carbonic acid derivative
  • 1,2,4-triazole
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • oxacycle
  • secondary alcohol
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • amine