DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:12 UTC
Update Date	2025-03-25 00:54:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02206281
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₇N₅O₇S
Molecular Mass	387.0849
SMILES	NC(CSc1nc2c(cnn2C2OC(CO)C(O)C2O)c(=O)[nH]1)C(=O)O
InChI Key	JZEFZJZYGQGPPT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrazolo[3,4-d]pyrimidine glycosides
Subclass	pyrazolo[3,4-d]pyrimidine glycosides
Direct Parent	pyrazolo[3,4-d]pyrimidine glycosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alkylarylthioethers alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids cysteine and derivatives heteroaromatic compounds hydrocarbon derivatives lactams monoalkylamines monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds primary alcohols pyrazoles pyrazolo[3,4-d]pyrimidines pyrimidones secondary alcohols sulfenyl compounds tetrahydrofurans vinylogous amides
Substituents	carbonyl group lactam carboxylic acid pyrazolo[3,4-d]pyrimidine glycoside monosaccharide pyrimidone alpha-amino acid or derivatives alkylarylthioether organosulfur compound carboxylic acid derivative aryl thioether pyrazole pyrimidine saccharide organic oxide pyrazolopyrimidine aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol organoheterocyclic compound azole pyrazolo[3,4-d]pyrimidine alcohol vinylogous amide sulfenyl compound azacycle tetrahydrofuran heteroaromatic compound oxacycle monocarboxylic acid or derivatives organic oxygen compound thioether cysteine or derivatives secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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