DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:14:50 UTC
Update Date	2025-03-21 18:33:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00097663
Frequency	28.2
Structure
Chemical Formula	C₁₃H₁₇N₅O₆S
Molecular Mass	371.09
SMILES	Nc1nc2c(ncn2C2OC(CSCCC(=O)O)C(O)C2O)c(=O)[nH]1
InChI Key	XLFBAVILOJMZAO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	5'-deoxyribonucleosides
Subclass	5'-deoxy-5'-thionucleosides
Direct Parent	5'-s-alkylthio-5'-deoxyribonucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylthioethers heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles lactams monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary amines purines and purine derivatives pyrimidones secondary alcohols sulfenyl compounds tetrahydrofurans vinylogous amides
Substituents	carbonyl group lactam carboxylic acid amino acid or derivatives amino acid monosaccharide pyrimidone imidazopyrimidine organosulfur compound carboxylic acid derivative pyrimidine saccharide organic oxide 5'-s-alkylthio-5'-deoxyribonucleoside aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol vinylogous amide sulfenyl compound azacycle tetrahydrofuran dialkylthioether heteroaromatic compound oxacycle monocarboxylic acid or derivatives organic oxygen compound thioether secondary alcohol hypoxanthine hydrocarbon derivative primary amine purine organic nitrogen compound amine organooxygen compound

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