DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:10:32 UTC
Update Date	2025-03-21 18:31:44 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00087337
Frequency	32.6
Structure
Chemical Formula	C₁₅H₁₈F₃N₅O₅S
Molecular Mass	437.0981
SMILES	CC(=O)Nc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC(CO)C(O)C1O
InChI Key	HJWMMONOXQXBEH-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	acetamides alkyl fluorides alkylarylthioethers azacyclic compounds carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-acetylarylamines n-substituted imidazoles organic oxides organofluorides organopnictogen compounds oxacyclic compounds primary alcohols purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides sulfenyl compounds tetrahydrofurans
Substituents	carbonyl group n-acetylarylamine monosaccharide n-arylamide imidazopyrimidine alkylarylthioether organosulfur compound carboxylic acid derivative organohalogen compound aryl thioether pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound alkyl halide primary alcohol imidolactam organoheterocyclic compound acetamide azole n-substituted imidazole alcohol sulfenyl compound azacycle tetrahydrofuran alkyl fluoride organofluoride purine nucleoside heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide organic oxygen compound thioether secondary alcohol hydrocarbon derivative purine organic nitrogen compound organooxygen compound

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