DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:05 UTC
Update Date	2025-03-25 00:57:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02224636
Frequency	0.5
Structure
Chemical Formula	C₁₆H₁₈N₆O₆S
Molecular Mass	422.1009
SMILES	NS(=O)(=O)c1ccc(Nc2ncnc3ncn(C4OC(CO)C(O)C4O)c23)cc1
InChI Key	YRBCQCDTPAXAIC-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	aminosulfonyl compounds azacyclic compounds benzenesulfonamides benzenesulfonyl compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-substituted imidazoles nucleoside and nucleotide analogues organic oxides organopnictogen compounds organosulfonamides oxacyclic compounds primary alcohols purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary amines tetrahydrofurans
Substituents	organosulfonic acid or derivatives monocyclic benzene moiety monosaccharide imidazopyrimidine organosulfur compound pyrimidine organosulfonic acid amide saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole benzenesulfonyl group alcohol benzenesulfonamide azacycle aminosulfonyl compound tetrahydrofuran purine nucleoside heteroaromatic compound secondary amine oxacycle sulfonyl organic oxygen compound organic sulfonic acid or derivatives secondary alcohol hydrocarbon derivative benzenoid purine organic nitrogen compound organooxygen compound amine

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