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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:18 UTC
Update Date2025-03-25 00:57:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02222893
Frequency0.5
Structure
Chemical FormulaC12H15F3N5O7PS
Molecular Mass461.0382
SMILESO=P(O)(O)OCC1OC(n2cnc3nnc(SCCC(F)(F)F)nc32)C(O)C1O
InChI KeyZQDDBISJXWOBRU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent pentose phosphates
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2,4-triazines
  • 1,2-diols
  • alkyl fluorides
  • alkylarylthioethers
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • monoalkyl phosphates
  • monosaccharides
  • n-substituted imidazoles
  • organic oxides
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alcohols
  • sulfenyl compounds
  • tetrahydrofurans
    • Substituents
  • pentose phosphate
  • pentose-5-phosphate
  • alkylarylthioether
  • organosulfur compound
  • organohalogen compound
  • aryl thioether
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • organoheterocyclic compound
  • azole
  • 1,2-diol
  • n-substituted imidazole
  • alcohol
  • sulfenyl compound
  • azacycle
  • tetrahydrofuran
  • alkyl fluoride
  • organofluoride
  • heteroaromatic compound
  • oxacycle
  • phosphoric acid ester
  • thioether
  • monoalkyl phosphate
  • secondary alcohol
  • triazine
  • hydrocarbon derivative
  • organic nitrogen compound
  • 1,2,4-triazine
  • organic phosphoric acid derivative
  • alkyl phosphate