DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:20 UTC
Update Date	2025-03-25 00:51:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02186085
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₉N₅O₈S
Molecular Mass	429.0954
SMILES	Nc1ncnc2c1ncn2C1OC(CSCC(O)(CC(=O)O)C(=O)O)C(O)C1O
InChI Key	WLSWOZQCHLIADY-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	alpha hydroxy acids and derivatives amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylthioethers dicarboxylic acids and derivatives fatty acyls heteroaromatic compounds hydrocarbon derivatives hydroxy fatty acids 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 tertiary alcohols tetrahydrofurans thia fatty acids
Substituents	fatty acyl carbonyl group carboxylic acid amino acid or derivatives amino acid alpha-hydroxy acid monosaccharide imidazopyrimidine organosulfur compound carboxylic acid derivative pyrimidine saccharide organic oxide 5'-s-alkylthio-5'-deoxyribonucleoside aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound hydroxy fatty acid imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol sulfenyl compound azacycle tetrahydrofuran dialkylthioether heteroaromatic compound hydroxy acid oxacycle tertiary alcohol thia fatty acid organic oxygen compound thioether secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary amine purine organic nitrogen compound amine organooxygen compound

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