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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:23:45 UTC
Update Date2025-03-21 18:38:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00119431
Frequency21.8
Structure
Chemical FormulaC9H13N2O12PS
Molecular Mass403.9927
SMILESO=c1ccn(C2OC(COP(=O)(O)O)C(OS(=O)(=O)O)C2O)c(=O)[nH]1
InChI KeyNCUQEBIFQICRLM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassnucleosides, nucleotides, and analogues
Classpyrimidine nucleotides
Subclass pyrimidine ribonucleotides
Direct Parent pyrimidine ribonucleoside monophosphates
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl sulfates
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • monoalkyl phosphates
  • monosaccharides
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • pentose phosphates
  • pyrimidones
  • secondary alcohols
  • sulfuric acid monoesters
  • tetrahydrofurans
  • vinylogous amides
    • Substituents
  • sulfuric acid monoester
  • lactam
  • aromatic heteromonocyclic compound
  • pentose phosphate
  • monosaccharide
  • pentose-5-phosphate
  • pyrimidone
  • pyrimidine
  • saccharide
  • organic oxide
  • alkyl sulfate
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • alcohol
  • vinylogous amide
  • carbonic acid derivative
  • organic sulfuric acid or derivatives
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • oxacycle
  • pyrimidine ribonucleoside monophosphate
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • sulfuric acid ester
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound