DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:48 UTC
Update Date	2025-03-25 00:51:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02187188
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₁N₅O₄S
Molecular Mass	367.1314
SMILES	CC(C)(C)C(=O)SCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChI Key	BGNZUCMKBOXMHM-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 amino acids and derivatives azacyclic compounds carbonyl compounds carbothioic s-esters carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols sulfenyl compounds tetrahydrofurans thioesters thiolactones
Substituents	carbonyl group amino acid or derivatives monosaccharide imidazopyrimidine organosulfur compound carboxylic acid derivative pyrimidine carbothioic s-ester saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam thiolactone organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol thiocarboxylic acid or derivatives sulfenyl compound azacycle tetrahydrofuran thiocarboxylic acid ester 5'-deoxy-5'-thionucleoside heteroaromatic compound oxacycle organic oxygen compound secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound amine organooxygen compound

Showing information for DMID02187188