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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:13 UTC
Update Date2025-03-25 00:47:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02160674
Frequency0.5
Structure
Chemical FormulaC17H28N5O19P3
Molecular Mass699.0591
SMILESNc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O
InChI KeyCUPZNPTZZJBMDW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent hexose phosphates
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • imidolactams
  • monoalkyl phosphates
  • monosaccharides
  • n-substituted imidazoles
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • primary amines
  • purines and purine derivatives
  • pyrimidines and pyrimidine derivatives
  • secondary alcohols
  • Substituents
  • imidazopyrimidine
  • pyrimidine
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • primary alcohol
  • imidolactam
  • organoheterocyclic compound
  • azole
  • n-substituted imidazole
  • alcohol
  • azacycle
  • heteroaromatic compound
  • oxacycle
  • phosphoric acid ester
  • monoalkyl phosphate
  • secondary alcohol
  • hexose phosphate
  • hydrocarbon derivative
  • primary amine
  • purine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • amine
  • alkyl phosphate