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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:39:30 UTC
Update Date2025-03-24 20:25:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01441742
Frequency0.9
Structure
Chemical FormulaC22H37F3N5O24P5S2
Molecular Mass1030.991
SMILESCSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC(COC2C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C2OP(=O)(O)O)C(O)C1O
InChI KeyRTMWZKRRYNNVLO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassnucleosides, nucleotides, and analogues
Classpurine nucleosides
Subclass purine nucleosides
Direct Parent purine nucleosides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • alkyl fluorides
  • alkylarylthioethers
  • azacyclic compounds
  • dialkyl ethers
  • dialkylthioethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • imidolactams
  • inositol phosphates
  • monoalkyl phosphates
  • monosaccharides
  • n-substituted imidazoles
  • organic oxides
  • organofluorides
  • organopnictogen compounds
  • oxacyclic compounds
  • purines and purine derivatives
  • pyrimidines and pyrimidine derivatives
  • secondary alcohols
  • secondary alkylarylamines
  • sulfenyl compounds
  • tetrahydrofurans
    • Substituents
  • ether
  • monosaccharide
  • imidazopyrimidine
  • inositol phosphate
  • alkylarylthioether
  • organosulfur compound
  • organohalogen compound
  • dialkyl ether
  • aryl thioether
  • pyrimidine
  • saccharide
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • imidolactam
  • organoheterocyclic compound
  • azole
  • 1,2-diol
  • n-substituted imidazole
  • alcohol
  • sulfenyl compound
  • azacycle
  • tetrahydrofuran
  • alkyl fluoride
  • organofluoride
  • dialkylthioether
  • purine nucleoside
  • heteroaromatic compound
  • cyclitol or derivatives
  • secondary amine
  • secondary aliphatic/aromatic amine
  • oxacycle
  • organic oxygen compound
  • phosphoric acid ester
  • thioether
  • monoalkyl phosphate
  • secondary alcohol
  • hydrocarbon derivative
  • purine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound
  • amine