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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:51 UTC
Update Date2025-03-21 18:39:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00126693
Frequency20.2
Structure
Chemical FormulaC9H15N3O11P2
Molecular Mass403.0182
SMILESNc1ccn(C2C(CO)OC(OP(=O)(O)OP(=O)(O)O)C2O)c(=O)n1
InChI KeyAWQMALBUNHNIBI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganic oxoanionic compounds
Subclass organic pyrophosphates
Direct Parent organic pyrophosphates
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • monoalkyl phosphates
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • primary amines
  • pyrimidones
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • aromatic heteromonocyclic compound
  • pyrimidone
  • pyrimidine
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • primary alcohol
  • imidolactam
  • organoheterocyclic compound
  • alcohol
  • carbonic acid derivative
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • organic pyrophosphate
  • oxacycle
  • phosphoric acid ester
  • monoalkyl phosphate
  • secondary alcohol
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • amine
  • alkyl phosphate
  • organooxygen compound