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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:47 UTC
Update Date2025-03-25 00:50:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02182585
Frequency0.5
Structure
Chemical FormulaC7H11N2O7P
Molecular Mass266.0304
SMILESO=P(O)(O)OCc1nnc(CO)c(O)c1CO
InChI KeyKPSYEOUNDVZIBB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic phosphoric acids and derivatives
Subclass phosphate esters
Direct Parent monoalkyl phosphates
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyridazines and derivatives
  • Substituents
  • aromatic alcohol
  • alcohol
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • organic oxide
  • organic oxygen compound
  • monoalkyl phosphate
  • pyridazine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound