DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:24:57 UTC
Update Date	2025-03-21 18:38:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00122257
Frequency	21.2
Structure
Chemical Formula	C₂₀H₂₆N₅O₉+
Molecular Mass	480.1725
SMILES	NC(=O)c1ccc[n+](C2OC(COC3C(O)C(CO)OC3n3ccc(N)nc3=O)C(O)C2O)c1
InChI Key	MUQGRZHTOLWNBL-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleosides
Subclass	pyrimidine nucleosides
Direct Parent	pyrimidine nucleosides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	amino acids and derivatives azacyclic compounds carboxylic acids and derivatives dialkyl ethers heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidolactams monosaccharides nicotinamides organic carbonic acids and derivatives organic cations organic oxides organopnictogen compounds oxacyclic compounds primary alcohols primary amines primary carboxylic acid amides pyridinecarboxylic acids and derivatives pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide pyridine carboxylic acid or derivatives ether aromatic heteromonocyclic compound amino acid or derivatives nicotinamide monosaccharide pyrimidone carboxylic acid derivative dialkyl ether pyrimidine saccharide organic oxide organonitrogen compound organopnictogen compound pyrimidine nucleoside organic cation primary alcohol imidolactam organoheterocyclic compound alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound hydroxypyridine carboxamide group oxacycle pyridine organic oxygen compound secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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