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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:33 UTC
Update Date2025-03-25 00:54:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204791
Frequency0.5
Structure
Chemical FormulaC9H14N5O12P3
Molecular Mass476.9852
SMILESO=[PH](OCC1OC(n2cnc3nncnc32)C(O)C1O)OP(=O)(O)OP(=O)(O)O
InChI KeyORYKMJNHENXDJG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganic oxoanionic compounds
Subclass organic pyrophosphates
Direct Parent organic pyrophosphates
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2,4-triazines
  • 1,2-diols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • monosaccharides
  • n-substituted imidazoles
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • phosphate esters
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • monosaccharide
  • saccharide
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • azole
  • 1,2-diol
  • n-substituted imidazole
  • alcohol
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • organic pyrophosphate
  • oxacycle
  • phosphoric acid ester
  • secondary alcohol
  • triazine
  • hydrocarbon derivative
  • organic nitrogen compound
  • 1,2,4-triazine
  • organic phosphoric acid derivative
  • organooxygen compound