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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:56:00 UTC
Update Date2025-03-24 22:25:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01192758
Frequency1.1
Structure
Chemical FormulaC29H36N12O18P2
Molecular Mass902.1746
SMILESNc1ncnc2c1ncn2C1OC(COP(=O)(OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)C(O)C1O
InChI KeyUOGCHUPHTJGJDC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassnucleosides, nucleotides, and analogues
Classpurine nucleotides
Subclass purine ribonucleotides
Direct Parent purine ribonucleoside diphosphates
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkyl phosphates
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • imidolactams
  • lactams
  • monoalkyl phosphates
  • monosaccharides
  • n-substituted imidazoles
  • organic carbonic acids and derivatives
  • organic oxides
  • organic pyrophosphates
  • organopnictogen compounds
  • oxacyclic compounds
  • pentose phosphates
  • primary amines
  • purine ribonucleoside monophosphates
  • purines and purine derivatives
  • pyrimidine ribonucleoside diphosphates
  • pyrimidones
  • secondary alcohols
  • tetrahydrofurans
  • vinylogous amides
    • Substituents
  • lactam
  • pentose phosphate
  • purine ribonucleoside monophosphate
  • monosaccharide
  • pentose-5-phosphate
  • pyrimidone
  • imidazopyrimidine
  • pyrimidine
  • saccharide
  • organic oxide
  • purine ribonucleoside diphosphate
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • imidolactam
  • organoheterocyclic compound
  • azole
  • n-substituted imidazole
  • alcohol
  • vinylogous amide
  • carbonic acid derivative
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • organic pyrophosphate
  • oxacycle
  • dialkyl phosphate
  • pyrimidine ribonucleoside diphosphate
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • secondary alcohol
  • hydrocarbon derivative
  • purine
  • primary amine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • amine
  • alkyl phosphate
  • organooxygen compound