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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:09 UTC
Update Date2025-03-21 18:36:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00110729
Frequency30.3
Structure
Chemical FormulaC21H31N5O18P2
Molecular Mass703.1139
SMILESCC(=O)NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(=O)[nH]cnc43)C(O)C2O)OC(CO)C(O)C1OC(C)C(=O)O
InChI KeyJAZKYMHMSPXJEJ-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
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hypoxanthines
  • imidazoles
  • lactams
  • monoalkyl phosphates
  • monocarboxylic acids and derivatives
  • monosaccharides
  • n-substituted imidazoles
  • organic oxides
  • organic pyrophosphates
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • pentose phosphates
  • primary alcohols
  • purine ribonucleoside diphosphates
  • purine ribonucleoside monophosphates
  • purines and purine derivatives
  • pyrimidones
  • secondary alcohols
  • secondary carboxylic acid amides
  • sugar acids and derivatives
  • tetrahydrofurans
  • vinylogous amides
    • Substituents
  • lactam
  • carboxylic acid
  • purine ribonucleoside monophosphate
  • monosaccharide
  • pentose-5-phosphate
  • imidazopyrimidine
  • dialkyl ether
  • muramic_acid
  • purine ribonucleoside diphosphate
  • organonitrogen compound
  • oxane
  • organoheterocyclic compound
  • acetamide
  • alcohol
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • organic pyrophosphate
  • secondary carboxylic acid amide
  • monoalkyl phosphate
  • hypoxanthine
  • hydrocarbon derivative
  • carbonyl group
  • ether
  • pentose phosphate
  • pyrimidone
  • carboxylic acid derivative
  • pyrimidine
  • n-acyl-alpha-hexosamine
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • organopnictogen compound
  • primary alcohol
  • azole
  • n-substituted imidazole
  • tetrahydrofuran
  • carboxamide group
  • oxacycle
  • monocarboxylic acid or derivatives
  • phosphoric acid ester
  • secondary alcohol
  • purine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate