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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:12 UTC
Update Date2025-03-25 01:01:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02247600
Frequency0.5
Structure
Chemical FormulaC16H25N2O11P
Molecular Mass452.1196
SMILESO=C(O)C1CCCN1C(=O)C1CC=CN(C2OC(COP(=O)(O)O)C(O)C2O)C1O
InChI KeyALIZVERNLRALGG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassnucleosides, nucleotides, and analogues
Classpyridine nucleotides
Subclass nicotinamide nucleotides
Direct Parent nicotinamide nucleotides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • alkanolamines
  • alpha amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • monocarboxylic acids and derivatives
  • monosaccharides
  • n-acyl-alpha amino acids
  • n-acylpyrrolidines
  • nicotinamides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • pentose phosphates
  • proline and derivatives
  • pyrrolidine carboxylic acids
  • secondary alcohols
  • tertiary carboxylic acid amides
  • tetrahydrofurans
  • tetrahydropyridines
    • Substituents
  • carbonyl group
  • carboxylic acid
  • pentose phosphate
  • nicotinamide
  • n-acylpyrrolidine
  • monosaccharide
  • pentose-5-phosphate
  • alpha-amino acid or derivatives
  • nicotinamide-nucleotide
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • pyrrolidine carboxylic acid
  • tertiary carboxylic acid amide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • pyrrolidine
  • organoheterocyclic compound
  • alkanolamine
  • 1,2-diol
  • n-acyl-alpha amino acid or derivatives
  • proline or derivatives
  • alcohol
  • azacycle
  • n-acyl-alpha-amino acid
  • tetrahydrofuran
  • tetrahydropyridine
  • carboxamide group
  • oxacycle
  • monocarboxylic acid or derivatives
  • pyrrolidine carboxylic acid or derivatives
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound