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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:29 UTC
Update Date2025-03-25 00:51:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02184133
Frequency0.5
Structure
Chemical FormulaC16H25N6O9P
Molecular Mass476.1421
SMILESNC(CCCCNc1ncc2ncn(C3OC(COP(=O)(O)O)C(O)C3O)c2n1)C(=O)O
InChI KeyGBOPZCKEJNWFKG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassnucleosides, nucleotides, and analogues
Classpurine nucleotides
Subclass purine ribonucleotides
Direct Parent purine ribonucleoside monophosphates
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • alpha amino acids
  • amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • imidazoles
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • monoalkyl phosphates
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • monosaccharides
  • n-substituted imidazoles
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • pentose phosphates
  • purines and purine derivatives
  • pyrimidines and pyrimidine derivatives
  • secondary alcohols
  • secondary alkylarylamines
  • tetrahydrofurans
    • Substituents
  • carboxylic acid
  • amino acid or derivatives
  • purine ribonucleoside monophosphate
  • monosaccharide
  • pentose-5-phosphate
  • alpha-amino acid or derivatives
  • imidazopyrimidine
  • medium-chain hydroxy acid
  • saccharide
  • organonitrogen compound
  • alpha-amino acid
  • hydroxy fatty acid
  • organoheterocyclic compound
  • 1,2-diol
  • alcohol
  • azacycle
  • heteroaromatic compound
  • secondary aliphatic/aromatic amine
  • monoalkyl phosphate
  • hydrocarbon derivative
  • primary aliphatic amine
  • amine
  • fatty acyl
  • carbonyl group
  • pentose phosphate
  • amino acid
  • fatty acid
  • carboxylic acid derivative
  • pyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • organopnictogen compound
  • medium-chain fatty acid
  • azole
  • n-substituted imidazole
  • tetrahydrofuran
  • secondary amine
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • phosphoric acid ester
  • secondary alcohol
  • purine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound