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Record Information
HMDB Statusdetected
Creation Date2024-02-20 23:47:22 UTC
Update Date2025-03-21 18:01:19 UTC
HMDB IDHMDB0256115
Metabolite Identification
DeepMet IDDMID00032215
NamePantoprazole Sulfone
Frequency126.6
Structure
Chemical FormulaC16H15F2N3O5S
Molecular Mass399.07
SMILESCOc1ccnc(CS(=O)(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC
InChI KeyFCJYMBZQIJDMMM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzimidazoles
Subclass sulfinylbenzimidazoles
Direct Parent sulfinylbenzimidazoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • alkyl aryl ethers
  • alkyl fluorides
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • methylpyridines
  • organic oxides
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenol ethers
  • polyhalopyridines
  • sulfones
    • Substituents
  • phenol ether
  • ether
  • polyhalopyridine
  • alkyl aryl ether
  • sulfinylbenzimidazole
  • organosulfur compound
  • organohalogen compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • 2-halopyridine
  • azole
  • azacycle
  • alkyl fluoride
  • organofluoride
  • heteroaromatic compound
  • methylpyridine
  • sulfonyl
  • pyridine
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • sulfone