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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:56:20 UTC
Update Date2025-03-24 14:06:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00761695
Frequency2.0
Structure
Chemical FormulaC33H41F3N9O12PS2
Molecular Mass907.2006
SMILESCSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC(COP(=O)(O)OCC(O)C(O)C(O)Cn2c3nc(=O)[nH]c(=O)c-3nc3cc(C)c(C)cc32)C(O)C1O
InChI KeyITFWECXOSYNCSM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassnucleosides, nucleotides, and analogues
Classflavin nucleotides
Subclass flavin nucleotides
Direct Parent flavin nucleotides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl fluorides
  • alkylarylthioethers
  • azacyclic compounds
  • benzenoids
  • dialkyl phosphates
  • dialkylthioethers
  • diazanaphthalenes
  • flavins
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • imidolactams
  • lactams
  • monosaccharides
  • n-substituted imidazoles
  • organic carbonic acids and derivatives
  • organic oxides
  • organofluorides
  • organopnictogen compounds
  • oxacyclic compounds
  • pentose phosphates
  • purine ribonucleoside monophosphates
  • purines and purine derivatives
  • pyrazines
  • pyrimidones
  • quinoxalines
  • secondary alcohols
  • secondary alkylarylamines
  • sulfenyl compounds
  • tetrahydrofurans
    • Substituents
  • lactam
  • purine ribonucleoside monophosphate
  • monosaccharide
  • pentose-5-phosphate
  • imidazopyrimidine
  • pteridine
  • isoalloxazine
  • aryl thioether
  • saccharide
  • diazanaphthalene
  • organonitrogen compound
  • organoheterocyclic compound
  • alcohol
  • sulfenyl compound
  • azacycle
  • alkyl fluoride
  • dialkylthioether
  • heteroaromatic compound
  • secondary aliphatic/aromatic amine
  • thioether
  • hydrocarbon derivative
  • amine
  • pentose phosphate
  • pyrimidone
  • alkylarylthioether
  • organosulfur compound
  • organohalogen compound
  • flavin
  • pyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • organopnictogen compound
  • alkyl halide
  • imidolactam
  • azole
  • n-substituted imidazole
  • quinoxaline
  • carbonic acid derivative
  • flavin nucleotide
  • tetrahydrofuran
  • organofluoride
  • secondary amine
  • oxacycle
  • dialkyl phosphate
  • organic oxygen compound
  • phosphoric acid ester
  • pyrazine
  • secondary alcohol
  • benzenoid
  • purine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound