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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:34:45 UTC
Update Date2025-03-21 17:56:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00003265
Frequency1802.4
Structure
Chemical FormulaC9H17N3O16P4
Molecular Mass546.9559
SMILESNc1ccn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)n1
InChI KeyHCMGQTBXNMTYAB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassnucleosides, nucleotides, and analogues
Classpyrimidine nucleotides
Subclass pyrimidine deoxyribonucleotides
Direct Parent pyrimidine 2'-deoxyribonucleoside polyphosphates
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • monoalkyl phosphates
  • monosaccharides
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • pentose phosphates
  • primary amines
  • pyrimidones
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • aromatic heteromonocyclic compound
  • pentose phosphate
  • monosaccharide
  • pyrimidone
  • pyrimidine
  • saccharide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • imidolactam
  • organoheterocyclic compound
  • alcohol
  • carbonic acid derivative
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • oxacycle
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • secondary alcohol
  • hydrocarbon derivative
  • pyrimidine 2'-deoxyribonucleoside polyphosphate
  • primary amine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • amine
  • alkyl phosphate
  • organooxygen compound