Hmdb loader

Showing information for DMID01074892

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:07:28 UTC
Update Date2025-03-24 19:54:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01074892
Frequency1.3
Structure
Chemical FormulaC18H28Cl2F3N5O15P4S2
Molecular Mass868.9303
SMILESCSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1C(O)C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)C1O
InChI KeyKKJQOMPGODPOCG-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
  • 1,3-substituted cyclopentyl purine nucleosides
  • alkyl chlorides
  • alkyl fluorides
  • alkylarylthioethers
  • azacyclic compounds
  • bisphosphonates
  • cyclitols and derivatives
  • cyclopentanols
  • cyclopentyl nucleosides
  • dialkylthioethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • imidolactams
  • monoalkyl phosphates
  • n-substituted imidazoles
  • organic oxides
  • organochlorides
  • organofluorides
  • organophosphorus compounds
  • organopnictogen compounds
  • purines and purine derivatives
  • pyrimidines and pyrimidine derivatives
  • secondary alkylarylamines
  • sulfenyl compounds
    • Substituents
  • alkyl chloride
  • organochloride
  • imidazopyrimidine
  • aryl thioether
  • organonitrogen compound
  • organophosphorus compound
  • organophosphonic acid derivative
  • organoheterocyclic compound
  • cyclopentyl nucleoside
  • alcohol
  • sulfenyl compound
  • azacycle
  • purine nucleoside
  • alkyl fluoride
  • dialkylthioether
  • heteroaromatic compound
  • cyclitol or derivatives
  • secondary aliphatic/aromatic amine
  • thioether
  • monoalkyl phosphate
  • hydrocarbon derivative
  • amine
  • alkylarylthioether
  • organosulfur compound
  • organohalogen compound
  • pyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • organopnictogen compound
  • alkyl halide
  • imidolactam
  • azole
  • n-substituted imidazole
  • bisphosphonate
  • organofluoride
  • cyclic alcohol
  • secondary amine
  • cyclopentanol
  • 1,3-substituted cyclopentyl purine nucleoside
  • organic oxygen compound
  • phosphoric acid ester
  • secondary alcohol
  • purine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound