DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:10 UTC
Update Date	2025-03-25 00:47:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160558
Frequency	0.5
Structure
Chemical Formula	C₉H₁₂N₅O₆P
Molecular Mass	317.0525
SMILES	Nc1ncnc2c1cnn2C1OCC(OP(=O)(O)O)C1O
InChI Key	ZISKFEPYSAOLPE-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 monoalkyl phosphates monosaccharides organic oxides organopnictogen compounds oxacyclic compounds primary amines pyrazoles pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	monosaccharide pyrazole pyrimidine saccharide organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound imidolactam azole pyrazolo[3,4-d]pyrimidine alcohol azacycle tetrahydrofuran heteroaromatic compound oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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