DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:06:50 UTC
Update Date	2025-03-25 00:56:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02217118
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₉N₅O₉P₂
Molecular Mass	439.0658
SMILES	Nc1ncnc2c1ncn2C1OC(CO)C(COP(=O)(O)O)C1CP(=O)(O)O
InChI Key	BABLNLHFFMSUME-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	imidazopyrimidines
Subclass	purines and purine derivatives
Direct Parent	purines and purine derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates n-substituted imidazoles organic oxides organic phosphonic acids and derivatives organophosphorus compounds organopnictogen compounds oxacyclic compounds primary alcohols primary amines pyrimidines and pyrimidine derivatives tetrahydrofurans
Substituents	pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organophosphorus compound primary alcohol imidolactam organophosphonic acid derivative azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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