DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:52 UTC
Update Date	2025-03-25 00:46:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02153152
Frequency	0.5
Structure
Chemical Formula	C₂₂H₃₁N₇O₁₃P₂
Molecular Mass	663.1455
SMILES	NC(=O)C1=CN(C2OC(COP(=O)(O)OC3C(O)C(n4cnc5c(N)ncnc54)C(O)C3CP(=O)(O)O)C(O)C2O)C=CC1
InChI Key	WMBUGUDXTOBNOF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyridine nucleotides
Subclass	nicotinamide nucleotides
Direct Parent	nicotinamide nucleotides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives cyclitols and derivatives cyclopentanols dialkyl phosphates dihydropyridines enamines heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-substituted imidazoles n-substituted nicotinamides nucleoside and nucleotide analogues organic oxides organic phosphonic acids and derivatives organophosphorus compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides purine nucleosides purines and purine derivatives pyrimidines and pyrimidine derivatives tetrahydrofurans vinylogous amides
Substituents	amino acid or derivatives nicotinamide monosaccharide pentose-5-phosphate nicotinamide-nucleotide imidazopyrimidine saccharide organonitrogen compound organophosphorus compound dihydropyridine organophosphonic acid derivative organoheterocyclic compound alcohol vinylogous amide azacycle purine nucleoside heteroaromatic compound cyclitol or derivatives hydrocarbon derivative primary amine amine enamine primary carboxylic acid amide carbonyl group pentose phosphate carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound imidolactam azole n-substituted imidazole tetrahydrofuran cyclic alcohol carboxamide group cyclopentanol n-substituted nicotinamide oxacycle dialkyl phosphate organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

Showing information for DMID02153152