DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:22:24 UTC
Update Date	2025-03-25 01:01:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02252603
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₂N₇O₅+
Molecular Mass	416.1677
SMILES	NC(=O)c1ccc[n+](CCOCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)c1
InChI Key	WNPSUZRCQIVUKW-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleosides
Subclass	purine nucleosides
Direct Parent	purine nucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols amino acids and derivatives azacyclic compounds carboxylic acids and derivatives dialkyl ethers heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles imidolactams monosaccharides n-substituted imidazoles nicotinamides organic cations organic oxides organopnictogen compounds oxacyclic compounds primary amines primary carboxylic acid amides 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 ether amino acid or derivatives nicotinamide monosaccharide imidazopyrimidine carboxylic acid derivative dialkyl ether pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organic cation imidolactam organoheterocyclic compound azole 1,2-diol 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 amine organooxygen compound

Showing information for DMID02252603