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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:37 UTC
Update Date2025-03-25 00:54:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204959
Frequency0.5
Structure
Chemical FormulaC17H24N3O12P
Molecular Mass493.1098
SMILESO=P(O)(OCC1OC(n2cnc3cccnc32)C(O)C1O)OC1OC(CO)C(O)C(O)C1O
InChI KeyXCYVQRBQOMTFEU-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
  • dialkyl phosphates
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • imidazoles
  • imidazopyridines
  • monosaccharides
  • n-substituted imidazoles
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • polyhalopyridines
  • primary alcohols
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • pentose phosphate
  • polyhalopyridine
  • pentose-5-phosphate
  • imidazopyridine
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • azole
  • n-substituted imidazole
  • alcohol
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • hydroxypyridine
  • oxacycle
  • dialkyl phosphate
  • pyridine
  • phosphoric acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate