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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:27:16 UTC
Update Date2025-03-21 18:39:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00127679
Frequency20.0
Structure
Chemical FormulaC16H24F3N6O6PS2
Molecular Mass548.0888
SMILESCSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC(COP(N)(=O)O)C(O)C1O
InChI KeyJRRKSEHZROTKGU-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
  • 1,2-diols
  • alkyl fluorides
  • alkylarylthioethers
  • azacyclic compounds
  • dialkylthioethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • imidolactams
  • monosaccharides
  • n-substituted imidazoles
  • organic oxides
  • organic phosphoramides
  • organofluorides
  • organopnictogen compounds
  • oxacyclic compounds
  • phosphate esters
  • phosphoric monoester monoamides
  • purines and purine derivatives
  • pyrimidines and pyrimidine derivatives
  • secondary alcohols
  • secondary alkylarylamines
  • sulfenyl compounds
  • tetrahydrofurans
    • Substituents
  • purine ribonucleoside monophosphate
  • monosaccharide
  • imidazopyrimidine
  • alkylarylthioether
  • organosulfur compound
  • organohalogen compound
  • aryl thioether
  • pyrimidine
  • saccharide
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • imidolactam
  • organic phosphoric acid amide
  • organoheterocyclic compound
  • azole
  • 1,2-diol
  • n-substituted imidazole
  • alcohol
  • phosphoric monoester monoamide
  • sulfenyl compound
  • azacycle
  • tetrahydrofuran
  • alkyl fluoride
  • organofluoride
  • dialkylthioether
  • heteroaromatic compound
  • secondary amine
  • secondary aliphatic/aromatic amine
  • oxacycle
  • organic oxygen compound
  • phosphoric acid ester
  • thioether
  • secondary alcohol
  • hydrocarbon derivative
  • purine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • organooxygen compound
  • amine