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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:28 UTC
Update Date2025-03-25 00:45:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02149887
Frequency0.5
Structure
Chemical FormulaC13H21N5O11P2
Molecular Mass485.0713
SMILESCCOP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C(O)C1O
InChI KeyDHFZKLJPVPSSBD-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
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • imidolactams
  • monoalkyl phosphates
  • monosaccharides
  • n-substituted imidazoles
  • organic oxides
  • organic pyrophosphates
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary amines
  • purines and purine derivatives
  • pyrimidines and pyrimidine derivatives
  • secondary alcohols
  • Substituents
  • imidazopyrimidine
  • pyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • imidolactam
  • organoheterocyclic compound
  • azole
  • n-substituted imidazole
  • alcohol
  • azacycle
  • heteroaromatic compound
  • organic pyrophosphate
  • 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