Hmdb loader

Showing information for DMID02221257

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:36 UTC
Update Date2025-03-25 00:56:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02221257
Frequency0.5
Structure
Chemical FormulaC15H23N2O12P
Molecular Mass454.0989
SMILESO=C(O)CC(NC(=O)C1=CN(C2OC(COP(=O)(O)O)C(O)C2O)CCC1)C(=O)O
InChI KeyAEJCAJKRSMBHAK-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
  • alpha amino acids
  • aspartic acid and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • enamines
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • monosaccharides
  • n-acyl-alpha amino acids
  • nicotinamides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • pentose phosphates
  • secondary alcohols
  • secondary carboxylic acid amides
  • short-chain hydroxy acids and derivatives
  • tetrahydrofurans
  • tetrahydropyridines
  • vinylogous amides
    • Substituents
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • pentose phosphate
  • nicotinamide
  • monosaccharide
  • pentose-5-phosphate
  • alpha-amino acid or derivatives
  • nicotinamide-nucleotide
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • organoheterocyclic compound
  • 1,2-diol
  • n-acyl-alpha amino acid or derivatives
  • alcohol
  • vinylogous amide
  • azacycle
  • n-acyl-alpha-amino acid
  • tetrahydrofuran
  • tetrahydropyridine
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • aspartic acid or derivatives
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound
  • enamine