DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:49:44 UTC
Update Date	2025-03-21 18:02:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00037926
Frequency	92.5
Structure
Chemical Formula	C₂₁H₃₀N₆O₁₂
Molecular Mass	558.1922
SMILES	CC(=O)NC1C(O)CC(OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI Key	SWVDEQUBGCFQEN-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	acetamides amino acids azacyclic compounds c-glucuronides carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams ketals monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds oxanes primary alcohols primary amines purines and purine derivatives pyran carboxylic acids pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	carbonyl group carboxylic acid amino acid or derivatives amino acid monosaccharide imidazopyrimidine carboxylic acid derivative pyran carboxylic acid pyrimidine saccharide organic oxide acetal aromatic heteropolycyclic compound imidazole ketal organonitrogen compound organopnictogen compound oxane primary alcohol imidolactam organoheterocyclic compound acetamide azole n-substituted imidazole c-glucuronide alcohol pyran carboxylic acid or derivatives azacycle tetrahydrofuran purine nucleoside heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound amine organooxygen compound

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