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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:37:33 UTC
Update Date2025-03-21 17:57:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00009756
Frequency501.5
Structure
Chemical FormulaC18H28N6O16P2
Molecular Mass646.1037
SMILESCC(=O)NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(=O)[nH]c(N)nc43)C(O)C2O)OC(CO)C(O)C1O
InChI KeyYSGZPIQQWTZUCT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent n-acyl-alpha-hexosamines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetamides
  • amino acids and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hypoxanthines
  • imidazoles
  • lactams
  • monoalkyl phosphates
  • monosaccharides
  • n-substituted imidazoles
  • organic oxides
  • organic pyrophosphates
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • pentose phosphates
  • primary alcohols
  • primary amines
  • purine ribonucleoside diphosphates
  • purine ribonucleoside monophosphates
  • purines and purine derivatives
  • pyrimidones
  • secondary alcohols
  • secondary carboxylic acid amides
  • tetrahydrofurans
  • vinylogous amides
    • Substituents
  • carbonyl group
  • lactam
  • pentose phosphate
  • amino acid or derivatives
  • purine ribonucleoside monophosphate
  • monosaccharide
  • pentose-5-phosphate
  • pyrimidone
  • imidazopyrimidine
  • carboxylic acid derivative
  • pyrimidine
  • n-acyl-alpha-hexosamine
  • organic oxide
  • purine ribonucleoside diphosphate
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • azole
  • n-substituted imidazole
  • alcohol
  • vinylogous amide
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • carboxamide group
  • organic pyrophosphate
  • oxacycle
  • secondary carboxylic acid amide
  • phosphoric acid ester
  • monoalkyl phosphate
  • secondary alcohol
  • hypoxanthine
  • hydrocarbon derivative
  • purine
  • primary amine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • amine
  • alkyl phosphate