DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:14:52 UTC
Update Date	2025-03-25 00:59:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02235328
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₃N₅O₁₀
Molecular Mass	457.1445
SMILES	CNc1ncnc2c1ncn2C1OC(CO)C(O)C1OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	JYVCHFAZPVIUSX-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 imidazoles imidolactams monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles o-glucuronides organic oxides organopnictogen compounds oxacyclic compounds oxanes primary alcohols purines and purine derivatives pyran carboxylic acids pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines tetrahydrofurans
Substituents	carbonyl group carboxylic acid glucuronic acid or derivatives amino acid or derivatives amino acid o-glucuronide monosaccharide 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 imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol pyran carboxylic acid or derivatives azacycle tetrahydrofuran purine nucleoside heteroaromatic compound hydroxy acid secondary amine secondary aliphatic/aromatic amine oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol hydrocarbon derivative purine organic nitrogen compound organooxygen compound amine

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