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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:13:15 UTC
Update Date2025-03-25 01:21:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02369468
Frequency0.5
Structure
Chemical FormulaC26H36F3N9O20P4S2
Molecular Mass1039.0421
SMILESCSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(=O)[nH]cnc43)C(O)C2O)C(O)C1O
InChI KeyRULYQNDBXPMHDV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassnucleosides, nucleotides, and analogues
Classpurine nucleotides
Subclass purine ribonucleotides
Direct Parent purine ribonucleoside monophosphates
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl fluorides
  • alkylarylthioethers
  • azacyclic compounds
  • dialkylthioethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hypoxanthines
  • imidazoles
  • imidolactams
  • lactams
  • monoalkyl phosphates
  • monosaccharides
  • n-substituted imidazoles
  • organic oxides
  • organofluorides
  • organopnictogen compounds
  • oxacyclic compounds
  • pentose phosphates
  • purines and purine derivatives
  • pyrimidones
  • secondary alcohols
  • secondary alkylarylamines
  • sulfenyl compounds
  • tetrahydrofurans
  • vinylogous amides
    • Substituents
  • lactam
  • purine ribonucleoside monophosphate
  • monosaccharide
  • pentose-5-phosphate
  • imidazopyrimidine
  • aryl thioether
  • saccharide
  • organonitrogen compound
  • organoheterocyclic compound
  • alcohol
  • vinylogous amide
  • sulfenyl compound
  • azacycle
  • alkyl fluoride
  • dialkylthioether
  • heteroaromatic compound
  • secondary aliphatic/aromatic amine
  • thioether
  • monoalkyl phosphate
  • hypoxanthine
  • hydrocarbon derivative
  • amine
  • pentose phosphate
  • pyrimidone
  • alkylarylthioether
  • organosulfur compound
  • organohalogen compound
  • pyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • organopnictogen compound
  • alkyl halide
  • imidolactam
  • azole
  • n-substituted imidazole
  • tetrahydrofuran
  • organofluoride
  • secondary amine
  • oxacycle
  • organic oxygen compound
  • phosphoric acid ester
  • secondary alcohol
  • purine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound