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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:01:28 UTC
Update Date2025-03-21 18:06:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00065644
Frequency46.6
Structure
Chemical FormulaC19H31N3O16P2
Molecular Mass619.118
SMILESCC(=O)NC1C(O)OC(COP(=O)(O)OP(=O)(O)OCC2OC(N3C=CCC(C(N)=O)=C3)C(O)C2O)C(O)C1O
InChI KeyNBAQFJFXIDIHNX-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
  • acylaminosugars
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dihydropyridines
  • enamines
  • hemiacetals
  • hexose phosphates
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • monosaccharides
  • n-acyl-alpha-hexosamines
  • n-substituted nicotinamides
  • organic oxides
  • organic pyrophosphates
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • pentose phosphates
  • primary carboxylic acid amides
  • secondary alcohols
  • secondary carboxylic acid amides
  • tetrahydrofurans
  • vinylogous amides
    • Substituents
  • primary carboxylic acid amide
  • carbonyl group
  • pentose phosphate
  • nicotinamide
  • monosaccharide
  • pentose-5-phosphate
  • nicotinamide-nucleotide
  • carboxylic acid derivative
  • n-acyl-alpha-hexosamine
  • saccharide
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • dihydropyridine
  • oxane
  • organoheterocyclic compound
  • acetamide
  • alcohol
  • vinylogous amide
  • amino saccharide
  • azacycle
  • tetrahydrofuran
  • carboxamide group
  • organic pyrophosphate
  • n-substituted nicotinamide
  • acylaminosugar
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • secondary alcohol
  • hexose phosphate
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound
  • enamine