DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:22:45 UTC
Update Date	2025-03-25 01:02:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02253352
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₁N₅O₁₂
Molecular Mass	475.1187
SMILES	Nc1nc2nc(OC3OC(C(=O)O)C(O)C(O)C3O)n(C3OC(CO)C(O)C3O)c2c(=O)[nH]1
InChI Key	VBPFMDSTJWKLQF-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 amino acids 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 nucleoside and nucleotide analogues o-glucuronides organic oxides organopnictogen compounds oxacyclic compounds oxanes primary alcohols primary amines purines and purine derivatives pyran carboxylic acids pyrimidones secondary alcohols tetrahydrofurans
Substituents	carbonyl group lactam carboxylic acid glucuronic acid or derivatives amino acid or derivatives amino acid 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 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 primary amine purine organic nitrogen compound amine organooxygen compound

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