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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:53 UTC
Update Date2025-03-25 00:57:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02224187
Frequency0.5
Structure
Chemical FormulaC16H23N5O16P2
Molecular Mass603.0615
SMILESNc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(OC2OC(C(=O)O)C(O)C(O)C2O)C1O
InChI KeyVHSSQHLKTYCOKQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent o-glucuronides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • amino acids
  • azacyclic compounds
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • glucuronic acid derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • imidolactams
  • monoalkyl phosphates
  • monocarboxylic acids and derivatives
  • monosaccharides
  • n-substituted imidazoles
  • organic oxides
  • organic pyrophosphates
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • pentose phosphates
  • primary amines
  • purine ribonucleoside diphosphates
  • purine ribonucleoside monophosphates
  • purines and purine derivatives
  • pyran carboxylic acids
  • pyrimidines and pyrimidine derivatives
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • carboxylic acid
  • amino acid or derivatives
  • purine ribonucleoside monophosphate
  • o-glucuronide
  • monosaccharide
  • pentose-5-phosphate
  • imidazopyrimidine
  • pyran carboxylic acid
  • 1-o-glucuronide
  • beta-hydroxy acid
  • purine ribonucleoside diphosphate
  • acetal
  • organonitrogen compound
  • oxane
  • organoheterocyclic compound
  • alcohol
  • azacycle
  • heteroaromatic compound
  • organic pyrophosphate
  • monoalkyl phosphate
  • hydrocarbon derivative
  • primary amine
  • amine
  • carbonyl group
  • pentose phosphate
  • amino acid
  • carboxylic acid derivative
  • pyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • organopnictogen compound
  • imidolactam
  • azole
  • n-substituted imidazole
  • pyran carboxylic acid or derivatives
  • tetrahydrofuran
  • hydroxy acid
  • oxacycle
  • monocarboxylic acid or derivatives
  • phosphoric acid ester
  • pyran
  • secondary alcohol
  • purine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate