DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:52 UTC
Update Date	2025-03-25 00:57:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02224153
Frequency	0.5
Structure
Chemical Formula	C₁₆H₁₇N₅O₄S
Molecular Mass	375.1001
SMILES	Nc1ncnc2c1ncn2C1OC(CSc2ccc(O)cc2)C(O)C1O
InChI Key	LVNZYLRAZKROLO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	5'-deoxyribonucleosides
Subclass	5'-deoxy-5'-thionucleosides
Direct Parent	5'-deoxy-5'-thionucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols 1-hydroxy-2-unsubstituted benzenoids alkylarylthioethers azacyclic compounds benzene and substituted derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-substituted imidazoles organopnictogen compounds oxacyclic compounds primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols sulfenyl compounds tetrahydrofurans thiophenol ethers thiophenols
Substituents	monocyclic benzene moiety 1-hydroxy-2-unsubstituted benzenoid monosaccharide imidazopyrimidine alkylarylthioether organosulfur compound aryl thioether pyrimidine saccharide thiophenol aromatic heteropolycyclic compound imidazole thiophenol ether organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol sulfenyl compound azacycle tetrahydrofuran 5'-deoxy-5'-thionucleoside heteroaromatic compound oxacycle organic oxygen compound thioether secondary alcohol phenol hydrocarbon derivative benzenoid primary amine purine organic nitrogen compound amine organooxygen compound

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