DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:48:56 UTC
Update Date	2025-03-21 18:02:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00035967
Frequency	98.7
Structure
Chemical Formula	C₂₁H₃₀N₇O₁₄P₂+
Molecular Mass	666.132
SMILES	NC(=O)c1ccc[n+](C2OC(CO[PH](=O)(=O)O[PH](O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)c1
InChI Key	FIXZYNQYZGLXTE-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside monophosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids and derivatives azacyclic compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles imidolactams monosaccharides n-substituted imidazoles nicotinamides organic cations organic oxides organic phosphoric acids and derivatives organopnictogen compounds oxacyclic compounds primary amines primary carboxylic acid amides purine nucleosides purines and purine derivatives pyridinecarboxylic acids and derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide pyridine carboxylic acid or derivatives amino acid or derivatives purine ribonucleoside monophosphate nicotinamide monosaccharide imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organic cation imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran purine nucleoside heteroaromatic compound hydroxypyridine carboxamide group oxacycle pyridine organic oxygen compound secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine organooxygen compound

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