DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:16 UTC
Update Date	2025-03-25 00:57:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02225029
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₂N₅O₇P
Molecular Mass	345.0474
SMILES	Nc1nc2nn(C3OC(CO)C4OP(=O)(O)OC43)cc2c(=O)[nH]1
InChI Key	MXOPKTRKKCCWPD-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 lactams organic oxides organic phosphoric acids and derivatives organopnictogen compounds oxacyclic compounds primary alcohols primary amines pyrazoles pyrimidones tetrahydrofurans vinylogous amides
Substituents	lactam pyrimidone pyrazole pyrimidine organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound primary alcohol azole pyrazolo[3,4-d]pyrimidine alcohol vinylogous amide 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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