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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:15 UTC
Update Date2025-03-25 00:47:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02160719
Frequency0.5
Structure
Chemical FormulaC18H24N6O9S
Molecular Mass500.1325
SMILESNc1nc2c(c(=O)[nH]1)N(C1OC(CO)C(O)C1O)C(CNc1ccc(OS(=O)(=O)O)cc1)CN2
InChI KeyLRAXBQJISWMLFY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpteridines and derivatives
Subclass pterins and derivatives
Direct Parent pterins and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkylarylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • lactams
  • monosaccharides
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • phenoxy compounds
  • phenylalkylamines
  • phenylsulfates
  • primary alcohols
  • primary amines
  • pyrimidones
  • secondary alcohols
  • secondary alkylarylamines
  • sulfuric acid monoesters
  • tetrahydrofurans
  • vinylogous amides
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • lactam
  • monosaccharide
  • pyrimidone
  • pyrimidine
  • phenylsulfate
  • saccharide
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • arylsulfate
  • dialkylarylamine
  • primary alcohol
  • imidolactam
  • alcohol
  • vinylogous amide
  • pterin
  • organic sulfuric acid or derivatives
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • secondary amine
  • secondary aliphatic/aromatic amine
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • phenylalkylamine
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • phenoxy compound
  • sulfuric acid ester
  • amine
  • organooxygen compound