DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:58:49 UTC
Update Date	2025-03-21 18:05:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00059355
Frequency	53.0
Structure
Chemical Formula	C₉H₁₂N₅O₆P
Molecular Mass	317.0525
SMILES	Nc1ncnc2c1ncn2C1C(O)C(O)C1OP(=O)(O)O
InChI Key	KPUINVAKAAARNB-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	1,2-diols azacyclic compounds cyclic alcohols and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates n-substituted imidazoles organic oxides organopnictogen compounds primary amines pyrimidines and pyrimidine derivatives secondary alcohols
Substituents	pyrimidine organic oxide aromatic heteropolycyclic compound imidazole cyclobutanol organonitrogen compound organopnictogen compound imidolactam azole 1,2-diol n-substituted imidazole alcohol azacycle heteroaromatic compound organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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