DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:04:25 UTC
Update Date	2025-03-25 00:55:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02211537
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₅N₅O₄S
Molecular Mass	325.0845
SMILES	CC(=O)Nc1ncnc2c1ncn2C1OC(CS)C(O)C1O
InChI Key	IMFIAPMYVJGLCB-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 acetamides alkylthiols azacyclic compounds carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-acetylarylamines n-substituted imidazoles organic oxides organopnictogen compounds organosulfur compounds oxacyclic compounds purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	carbonyl group n-acetylarylamine monosaccharide n-arylamide imidazopyrimidine organosulfur compound carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound acetamide azole 1,2-diol n-substituted imidazole alcohol azacycle tetrahydrofuran 5'-deoxy-5'-thionucleoside heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide organic oxygen compound secondary alcohol hydrocarbon derivative purine organic nitrogen compound alkylthiol organooxygen compound

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