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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:17 UTC
Update Date2025-03-25 00:57:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02225059
Frequency0.5
Structure
Chemical FormulaC19H26N8O12P2
Molecular Mass620.1145
SMILESNc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)CC3O)CC2O)c(=O)n1
InChI KeyMNSNWWACKCCNSB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassnucleosides, nucleotides, and analogues
Classpurine nucleotides
Subclass purine deoxyribonucleotides
Direct Parent purine 2'-deoxyribonucleoside diphosphates
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • imidolactams
  • monoalkyl phosphates
  • monosaccharides
  • n-substituted imidazoles
  • organic carbonic acids and derivatives
  • organic oxides
  • organic pyrophosphates
  • organopnictogen compounds
  • oxacyclic compounds
  • pentose phosphates
  • primary amines
  • purines and purine derivatives
  • pyrimidones
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • pentose phosphate
  • monosaccharide
  • pyrimidone
  • imidazopyrimidine
  • pyrimidine
  • saccharide
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • imidolactam
  • organoheterocyclic compound
  • azole
  • n-substituted imidazole
  • alcohol
  • carbonic acid derivative
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • purine 2'-deoxyribonucleoside diphosphate
  • organic pyrophosphate
  • oxacycle
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • secondary alcohol
  • hydrocarbon derivative
  • primary amine
  • purine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • amine
  • alkyl phosphate
  • organooxygen compound