DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:18:29 UTC
Update Date	2025-03-25 01:00:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02243545
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₆N₆O₄
Molecular Mass	308.1233
SMILES	CC(=O)NC1C(O)C(CO)OC1n1ncc2c(N)ncnc21
InChI Key	XKUUTHYYURSYKL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	pyrazolopyrimidines
Subclass	pyrazolo[3,4-d]pyrimidines
Direct Parent	pyrazolo[3,4-d]pyrimidines
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	acetamides amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidolactams monosaccharides organic oxides organopnictogen compounds oxacyclic compounds primary alcohols primary amines pyrazoles pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	carbonyl group amino acid or derivatives monosaccharide carboxylic acid derivative pyrazole pyrimidine saccharide organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound primary alcohol imidolactam acetamide azole pyrazolo[3,4-d]pyrimidine alcohol azacycle tetrahydrofuran heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide organic oxygen compound secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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