DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:15 UTC
Update Date	2025-03-25 00:57:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02225004
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₅N₅O₅S
Molecular Mass	341.0794
SMILES	Nc1ncnc2c1nc(SCC(=O)O)n2C1CC(O)C(CO)O1
InChI Key	NFYNVQAMLQYQFL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleosides
Subclass	purine 2'-deoxyribonucleosides
Direct Parent	purine 2'-deoxyribonucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alkylarylthioethers amino acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary alcohols primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols sulfenyl compounds tetrahydrofurans
Substituents	carbonyl group carboxylic acid amino acid or derivatives amino acid monosaccharide imidazopyrimidine alkylarylthioether organosulfur compound carboxylic acid derivative aryl thioether pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound primary alcohol imidolactam purine 2'-deoxyribonucleoside organoheterocyclic compound azole n-substituted imidazole alcohol sulfenyl compound azacycle tetrahydrofuran heteroaromatic compound oxacycle monocarboxylic acid or derivatives organic oxygen compound thioether secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound amine organooxygen compound

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