DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:58:38 UTC
Update Date	2025-03-25 00:53:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02198104
Frequency	0.5
Structure
Chemical Formula	C₁₆H₁₉N₅O₉S
Molecular Mass	457.0903
SMILES	O=C(O)CC(SCC(=O)Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O)C(=O)O
InChI Key	MDJFYPMJLRMFDN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleosides
Subclass	purine nucleosides
Direct Parent	purine nucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds carbonyl compounds carboxylic acids dialkylthioethers dicarboxylic acids and derivatives fatty acyls heteroaromatic compounds hydrocarbon derivatives hydroxy fatty acids imidazoles imidolactams monosaccharides n-arylamides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary alcohols purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides sulfenyl compounds tetrahydrofurans thia fatty acids
Substituents	fatty acyl carbonyl group carboxylic acid monosaccharide n-arylamide imidazopyrimidine organosulfur compound carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound hydroxy fatty acid primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol sulfenyl compound azacycle tetrahydrofuran dialkylthioether purine nucleoside heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide thia fatty acid organic oxygen compound thioether secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative purine organic nitrogen compound organooxygen compound

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