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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:14 UTC
Update Date2025-03-25 00:50:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183576
Frequency0.5
Structure
Chemical FormulaC11H13N4O10P
Molecular Mass392.0369
SMILESO=C(O)c1cc2ncn(C3OC(COP(=O)(O)O)C(O)C3O)c(=O)n2n1
InChI KeyVQUGFBLONNHMPN-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
  • 1,2-diols
  • azacyclic compounds
  • carboxylic acids
  • halo-s-triazines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • pyrazoles
  • pyrazolo[1,5-a][1,3,5]triazines
  • secondary alcohols
  • tetrahydrofurans
  • triazinones
    • Substituents
  • carboxylic acid
  • pentose phosphate
  • pentose-5-phosphate
  • carboxylic acid derivative
  • pyrazole
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • azole
  • 1,2-diol
  • alcohol
  • carbonic acid derivative
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • pyrazolo[1,5-a][1,3,5]triazine
  • oxacycle
  • monocarboxylic acid or derivatives
  • phosphoric acid ester
  • halo-s-triazine
  • monoalkyl phosphate
  • secondary alcohol
  • triazine
  • hydrocarbon derivative
  • 1,3,5-triazine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • triazinone
  • alkyl phosphate