DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:19 UTC
Update Date	2025-03-25 00:47:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160899
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₁N₅O₇S
Molecular Mass	415.1162
SMILES	Nc1nc2c(ncn2C2OC(CSCCC(O)CC(=O)O)C(O)C2O)c(=O)[nH]1
InChI Key	OYPVMYFPBIYZMQ-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	amino acids azacyclic compounds beta hydroxy acids and derivatives 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 beta-hydroxy acid saccharide organic oxide 5'-s-alkylthio-5'-deoxyribonucleoside aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide sulfenyl compound azacycle tetrahydrofuran dialkylthioether heteroaromatic compound hydroxy acid 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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