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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:45:16 UTC
Update Date2025-03-21 18:00:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00027270
Frequency139.4
Structure
Chemical FormulaC17H27N4O13P
Molecular Mass526.1312
SMILESCC(=O)NC1C(OP(=O)(O)OCC2OC(n3ccc(N)nc3=O)C(O)C2O)OC(CO)C(O)C1O
InChI KeyCHMYHJWZGADZJN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • amino acids and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkyl phosphates
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • n-acyl-alpha-hexosamines
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • pentose phosphates
  • primary alcohols
  • primary amines
  • pyrimidine ribonucleoside monophosphates
  • pyrimidones
  • secondary alcohols
  • secondary carboxylic acid amides
  • tetrahydrofurans
    • Substituents
  • carbonyl group
  • aromatic heteromonocyclic compound
  • pentose phosphate
  • amino acid or derivatives
  • monosaccharide
  • pentose-5-phosphate
  • pyrimidone
  • carboxylic acid derivative
  • pyrimidine
  • n-acyl-alpha-hexosamine
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • primary alcohol
  • imidolactam
  • organoheterocyclic compound
  • acetamide
  • alcohol
  • carbonic acid derivative
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • dialkyl phosphate
  • pyrimidine ribonucleoside monophosphate
  • phosphoric acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • amine
  • alkyl phosphate