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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 IDDMID02248733
Frequency0.5
Structure
Chemical FormulaC12H21N5O10P3S+
Molecular Mass520.0216
SMILESCc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O)c2CN)c(N)n1
InChI KeyXXWVOKOAHDEPRJ-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
  • 4,5-disubstituted thiazoles
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • monoalkyl phosphates
  • monoalkylamines
  • organic cations
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
    • Substituents
  • aromatic heteromonocyclic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organic cation
  • imidolactam
  • thiamine-phosphate
  • azole
  • azacycle
  • heteroaromatic compound
  • 4,5-disubstituted 1,3-thiazole
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • hydrocarbon derivative
  • primary aliphatic amine
  • primary amine
  • organic nitrogen compound
  • thiazole
  • organic phosphoric acid derivative
  • amine
  • alkyl phosphate
  • organooxygen compound