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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:39:20 UTC
Update Date2025-03-21 17:58:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00013940
Frequency324.2
Structure
Chemical FormulaC8H13N4O8P
Molecular Mass324.0471
SMILESNc1ncn(C2OC(COP(=O)(O)O)C(O)C2O)c(=O)n1
InChI KeyWODABQYEPQRZOS-UHFFFAOYSA-N
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
  • 1,2-diols
  • aminotriazines
  • azacyclic compounds
  • halo-s-triazines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • monosaccharides
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • primary amines
  • secondary alcohols
  • tetrahydrofurans
  • triazinones
    • Substituents
  • amino-1,3,5-triazine
  • aromatic heteromonocyclic compound
  • pentose phosphate
  • pentose-5-phosphate
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • 1,2-diol
  • alcohol
  • carbonic acid derivative
  • 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
  • triazinone
  • alkyl phosphate