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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:56:48 UTC
Update Date2025-03-21 18:05:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00054586
Frequency58.9
Structure
Chemical FormulaC15H22N2O17P2
Molecular Mass564.0394
SMILESO=C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)C(O)C(O)C1O
InChI KeyNAJLKQRSXDIPNE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassnucleosides, nucleotides, and analogues
Classpyrimidine nucleotides
Subclass pyrimidine ribonucleotides
Direct Parent pyrimidine ribonucleoside diphosphates
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acid esters
  • delta valerolactones
  • gluconolactones
  • heteroaromatic compounds
  • hexose phosphates
  • hydrocarbon derivatives
  • lactams
  • monoalkyl phosphates
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic carbonic acids and derivatives
  • organic oxides
  • organic pyrophosphates
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • pentose phosphates
  • pyrimidones
  • secondary alcohols
  • tetrahydrofurans
  • vinylogous amides
    • Substituents
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • pentose phosphate
  • delta valerolactone
  • monosaccharide
  • pentose-5-phosphate
  • pyrimidone
  • carboxylic acid derivative
  • pyrimidine
  • lactone
  • saccharide
  • organic oxide
  • gluconolactone
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • delta_valerolactone
  • organoheterocyclic compound
  • alcohol
  • vinylogous amide
  • carbonic acid derivative
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • organic pyrophosphate
  • oxacycle
  • monocarboxylic acid or derivatives
  • pyrimidine ribonucleoside diphosphate
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • carboxylic acid ester
  • secondary alcohol
  • hexose phosphate
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound