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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:46:24 UTC
Update Date2025-03-24 22:12:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02029804
Frequency0.6
Structure
Chemical FormulaC25H32F3N10O17P3S
Molecular Mass926.0833
SMILESCC(=O)Nc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O
InChI KeyITJSPCOEXVXMLF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassnucleosides, nucleotides, and analogues
Classpurine nucleotides
Subclass purine ribonucleotides
Direct Parent purine ribonucleoside triphosphates
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetamides
  • alkyl fluorides
  • alkylarylthioethers
  • amino acids and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • imidolactams
  • monoalkyl phosphates
  • monosaccharides
  • n-acetylarylamines
  • n-substituted imidazoles
  • organic oxides
  • organofluorides
  • organopnictogen compounds
  • oxacyclic compounds
  • pentose phosphates
  • primary amines
  • purine ribonucleoside monophosphates
  • purines and purine derivatives
  • pyrimidines and pyrimidine derivatives
  • secondary alcohols
  • secondary carboxylic acid amides
  • sulfenyl compounds
  • tetrahydrofurans
    • Substituents
  • n-acetylarylamine
  • amino acid or derivatives
  • purine ribonucleoside monophosphate
  • monosaccharide
  • pentose-5-phosphate
  • imidazopyrimidine
  • aryl thioether
  • saccharide
  • organonitrogen compound
  • purine ribonucleoside triphosphate
  • organoheterocyclic compound
  • acetamide
  • alcohol
  • sulfenyl compound
  • azacycle
  • alkyl fluoride
  • heteroaromatic compound
  • secondary carboxylic acid amide
  • thioether
  • monoalkyl phosphate
  • hydrocarbon derivative
  • primary amine
  • amine
  • carbonyl group
  • pentose phosphate
  • n-arylamide
  • alkylarylthioether
  • organosulfur compound
  • carboxylic acid derivative
  • organohalogen compound
  • pyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • organopnictogen compound
  • alkyl halide
  • imidolactam
  • azole
  • n-substituted imidazole
  • tetrahydrofuran
  • organofluoride
  • carboxamide group
  • oxacycle
  • organic oxygen compound
  • phosphoric acid ester
  • secondary alcohol
  • purine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound