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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:41 UTC
Update Date2025-03-21 18:35:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00104665
Frequency25.9
Structure
Chemical FormulaC22H35N3O18P2
Molecular Mass691.1391
SMILESCC(=O)NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(N3C=CCC(C(N)=O)=C3)C(O)C2O)OC(CO)C(O)C1OC(C)C(=O)O
InChI KeyOWWVHGLYFIVLHS-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
  • acetamides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • dihydropyridines
  • enamines
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • monocarboxylic acids and derivatives
  • monosaccharides
  • n-acyl-alpha-hexosamines
  • n-substituted nicotinamides
  • organic oxides
  • organic pyrophosphates
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • pentose phosphates
  • primary alcohols
  • primary carboxylic acid amides
  • secondary alcohols
  • secondary carboxylic acid amides
  • sugar acids and derivatives
  • tetrahydrofurans
  • vinylogous amides
    • Substituents
  • primary carboxylic acid amide
  • carbonyl group
  • ether
  • carboxylic acid
  • pentose phosphate
  • nicotinamide
  • monosaccharide
  • pentose-5-phosphate
  • nicotinamide-nucleotide
  • carboxylic acid derivative
  • dialkyl ether
  • n-acyl-alpha-hexosamine
  • muramic_acid
  • saccharide
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • dihydropyridine
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • alcohol
  • vinylogous amide
  • azacycle
  • tetrahydrofuran
  • carboxamide group
  • organic pyrophosphate
  • n-substituted nicotinamide
  • oxacycle
  • secondary carboxylic acid amide
  • monocarboxylic 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
  • enamine