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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:59 UTC
Update Date2025-03-25 01:01:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02251658
Frequency0.5
Structure
Chemical FormulaC14H21N4O12P
Molecular Mass468.0894
SMILESO=P(O)(O)OCC1OC(N2C=Nc3c(ncn3C3OC(CO)C(O)C3O)O2)C(O)C1O
InChI KeyIJCHXTIGBWOAGA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent pentose phosphates
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • formamidines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • monoalkyl phosphates
  • monosaccharides
  • n-substituted imidazoles
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • pentose phosphate
  • pentose-5-phosphate
  • amidine
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • primary alcohol
  • organoheterocyclic compound
  • azole
  • n-substituted imidazole
  • alcohol
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • formamidine
  • oxacycle
  • phosphoric acid ester
  • monoalkyl phosphate
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate