DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:01 UTC
Update Date	2025-03-25 00:47:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160237
Frequency	0.5
Structure
Chemical Formula	C₁₆H₁₉N₇O₆S
Molecular Mass	437.1118
SMILES	Nc1nc(N)c2nc(-c3ccc(S(N)(=O)=O)cc3)n(C3OC(CO)C(O)C3O)c2n1
InChI Key	YWLYYCAIDQQDQW-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 organic oxides organopnictogen compounds organosulfonamides oxacyclic compounds phenylimidazoles primary alcohols primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols 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 oxacycle sulfonyl organic oxygen compound organic sulfonic acid or derivatives 2-phenylimidazole secondary alcohol hydrocarbon derivative benzenoid primary amine purine organic nitrogen compound amine organooxygen compound

Showing information for DMID02160237