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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:43 UTC
Update Date2025-03-25 00:54:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02205191
Frequency0.5
Structure
Chemical FormulaC10H12N5O7P
Molecular Mass345.0474
SMILESNC1=Nc2cnc(n2C2OC3COP(=O)(O)OC3C2O)C(=O)N1
InChI KeyWYGRIEATTMYXMW-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
  • carboxylic acids and derivatives
  • guanidines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • monosaccharides
  • n-substituted imidazoles
  • organic oxides
  • organic phosphoric acids and derivatives
  • organopnictogen compounds
  • oxacyclic compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • pentose phosphate
  • guanidine
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • azole
  • n-substituted imidazole
  • alcohol
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • oxacycle
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic phosphoric acid derivative