DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:13:17 UTC
Update Date	2025-03-25 00:36:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02093524
Frequency	0.6
Structure
Chemical Formula	C₂₇H₄₁N₇O₂₀P₃+
Molecular Mass	876.1614
SMILES	NC(=O)c1ccc[n+](C2OC(COP(=O)(OCC(O)C(O)C(O)COP(=O)(O)O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3CP(=O)(O)O)C(O)C2O)c1
InChI Key	MRUDKOCEFVKPTB-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyridine nucleotides
Subclass	pyridine nucleotides
Direct Parent	pyridine nucleotides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids and derivatives azacyclic compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles nicotinamides organic cations organic oxides organic phosphonic acids and derivatives organophosphorus compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides purines and purine derivatives pyridinecarboxylic acids and derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans trialkyl phosphates vinylogous amides
Substituents	primary carboxylic acid amide pyridine carboxylic acid or derivatives trialkyl phosphate pentose phosphate amino acid or derivatives nicotinamide monosaccharide pentose-5-phosphate imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organophosphorus compound organic cation imidolactam organophosphonic acid derivative organoheterocyclic compound azole n-substituted imidazole pyridine nucleotide alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound hydroxypyridine carboxamide group oxacycle pyridine organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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