DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:17:00 UTC
Update Date	2025-03-21 18:34:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00103012
Frequency	26.4
Structure
Chemical Formula	C₁₀H₁₂N₅O₆P
Molecular Mass	329.0525
SMILES	Nc1ncnc2c1cnn2C1OC(CO)C2OP(=O)(O)OC21
InChI Key	JSANSXZNSTYNPS-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 dioxaphospholanes heteroaromatic compounds hydrocarbon derivatives imidolactams organic oxides organic phosphoric acids and derivatives organopnictogen compounds oxacyclic compounds primary alcohols primary amines pyrazoles pyrimidines and pyrimidine derivatives tetrahydrofurans
Substituents	pyrazole pyrimidine organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound primary alcohol imidolactam azole pyrazolo[3,4-d]pyrimidine alcohol azacycle tetrahydrofuran heteroaromatic compound 1,3_dioxaphospholane oxacycle organic oxygen compound hydrocarbon derivative primary amine organic nitrogen compound organic phosphoric acid derivative amine organooxygen compound

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