DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:41:35 UTC
Update Date	2025-03-21 17:59:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00018828
Frequency	219.0
Structure
Chemical Formula	C₁₀H₁₃N₅O₃
Molecular Mass	251.1018
SMILES	Nc1ncnc2c1cnn2C1CC(O)C(CO)O1
InChI Key	GQDCTRKQKKYCHJ-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	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidolactams monosaccharides organopnictogen compounds oxacyclic compounds primary alcohols primary amines pyrazoles pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	monosaccharide pyrazole pyrimidine saccharide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound primary alcohol imidolactam azole pyrazolo[3,4-d]pyrimidine alcohol azacycle tetrahydrofuran heteroaromatic compound oxacycle organic oxygen compound secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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