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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:43 UTC
Update Date2025-03-25 01:01:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02248734
Frequency0.5
Structure
Chemical FormulaC17H26N4O8PS+
Molecular Mass477.1203
SMILESCc1ncc(C[n+]2csc(CCOP(=O)(O)OCC3OC(O)C(O)C3O)c2C)c(N)n1
InChI KeyFDQDJRVOTQOXIH-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent thiamine phosphates
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • 4,5-disubstituted thiazoles
  • azacyclic compounds
  • dialkyl phosphates
  • hemiacetals
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • monosaccharides
  • organic cations
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • pentose phosphates
  • primary amines
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • aromatic heteromonocyclic compound
  • pentose phosphate
  • monosaccharide
  • pentose-5-phosphate
  • saccharide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • organic cation
  • imidolactam
  • thiamine-phosphate
  • azole
  • 1,2-diol
  • alcohol
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • 4,5-disubstituted 1,3-thiazole
  • oxacycle
  • dialkyl phosphate
  • organic oxygen compound
  • phosphoric acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • thiazole
  • organic phosphoric acid derivative
  • amine
  • alkyl phosphate
  • organooxygen compound