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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:12 UTC
Update Date2025-03-25 00:47:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02160634
Frequency0.5
Structure
Chemical FormulaC8H14N4O6P+
Molecular Mass293.0645
SMILESNc1ncnc[n+]1C1CC(O)C(COP(=O)(O)O)O1
InChI KeyIKENRGXLZFTZSJ-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent pentose phosphates
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aminotriazines
  • azacyclic compounds
  • halo-s-triazines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • monosaccharides
  • organic cations
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • primary amines
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • amino-1,3,5-triazine
  • aromatic heteromonocyclic compound
  • pentose phosphate
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organic cation
  • organoheterocyclic compound
  • alcohol
  • azacycle
  • tetrahydrofuran
  • aminotriazine
  • heteroaromatic compound
  • oxacycle
  • phosphoric acid ester
  • halo-s-triazine
  • monoalkyl phosphate
  • secondary alcohol
  • triazine
  • hydrocarbon derivative
  • 1,3,5-triazine
  • primary amine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • amine
  • alkyl phosphate