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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:06 UTC
Update Date2025-03-25 00:50:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178751
Frequency0.5
Structure
Chemical FormulaC6H11N2O5P
Molecular Mass222.0406
SMILESCn1cnc(C(CO)OP(=O)(O)O)c1
InChI KeyLSPUOGCEXSKCNE-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
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • n-substituted imidazoles
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • primary alcohols
  • Substituents
  • alcohol
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • organic oxide
  • organic oxygen compound
  • imidazole
  • monoalkyl phosphate
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • primary alcohol
  • organoheterocyclic compound
  • organooxygen compound
  • azole
  • n-substituted imidazole