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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:04:21 UTC
Update Date2025-03-25 00:55:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02211392
Frequency0.5
Structure
Chemical FormulaC11H18N5O9P
Molecular Mass395.0842
SMILESCC(=O)Nc1c(NC2OC(COP(=O)(O)O)C(O)C2O)[nH]c(N)nc1=O
InChI KeyZWAPNIDJCUFMQV-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
  • acetamides
  • amino acids and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • monosaccharides
  • n-acetylarylamines
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • primary amines
  • pyrimidones
  • secondary alcohols
  • secondary alkylarylamines
  • secondary carboxylic acid amides
  • tetrahydrofurans
  • vinylogous amides
    • Substituents
  • carbonyl group
  • n-acetylarylamine
  • aromatic heteromonocyclic compound
  • pentose phosphate
  • amino acid or derivatives
  • pentose-5-phosphate
  • pyrimidone
  • n-arylamide
  • carboxylic acid derivative
  • pyrimidine
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • acetamide
  • 1,2-diol
  • alcohol
  • vinylogous amide
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • secondary amine
  • carboxamide group
  • secondary aliphatic/aromatic amine
  • oxacycle
  • secondary carboxylic acid amide
  • phosphoric acid ester
  • monoalkyl phosphate
  • secondary alcohol
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • amine
  • alkyl phosphate