DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:24 UTC
Update Date	2025-03-25 00:53:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02199884
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₂N₄O₁₁
Molecular Mass	458.1285
SMILES	Cn1cnc2c(ncn2C2OC(CO)C(O)C2OC2OC(C(=O)O)C(O)C(O)C2O)c1=O
InChI Key	UHPBBIAURIVXEM-UHFFFAOYSA-N
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	acetals azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids glucuronic acid derivatives heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles lactams monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles o-glucuronides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols purines and purine derivatives pyran carboxylic acids pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	carbonyl group lactam carboxylic acid glucuronic acid or derivatives o-glucuronide monosaccharide pyrimidone imidazopyrimidine carboxylic acid derivative pyran carboxylic acid pyrimidine 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide pyran carboxylic acid or derivatives azacycle tetrahydrofuran purine nucleoside heteroaromatic compound hydroxy acid oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol hypoxanthine hydrocarbon derivative purine organic nitrogen compound organooxygen compound

Showing information for DMID02199884