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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:29:09 UTC
Update Date2025-03-21 18:41:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00132163
Frequency19.1
Structure
Chemical FormulaC10H16N3O8P
Molecular Mass337.0675
SMILESNc1ccn(CC2OC(COP(=O)(O)O)C(O)C2O)c(=O)n1
InChI KeyHUNSYOZCHKNAJW-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
  • azacyclic compounds
  • dialkyl ethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • monoalkyl phosphates
  • monosaccharides
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • primary amines
  • pyrimidones
  • secondary alcohols
  • tetrahydrofurans
  • Substituents
  • ether
  • aromatic heteromonocyclic compound
  • pentose phosphate
  • pentose-5-phosphate
  • pyrimidone
  • dialkyl ether
  • pyrimidine
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • imidolactam
  • organoheterocyclic compound
  • 1,2-diol
  • alcohol
  • carbonic acid derivative
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • oxacycle
  • phosphoric acid ester
  • monoalkyl phosphate
  • secondary alcohol
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • amine
  • alkyl phosphate