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	DMID02160557
Frequency	0.5
Structure
Chemical Formula	C₁₆H₁₆N₅O₆P
Molecular Mass	405.0838
SMILES	Nc1ncnc2c1nc(-c1ccccc1)n2C1OC2COP(=O)(O)OC2C1O
InChI Key	PNPVZYICQFYNMO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	cyclic purine nucleotides
Direct Parent	3',5'-cyclic purine nucleotides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds benzene and substituted derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-substituted imidazoles organic oxides organic phosphoric acids and derivatives organopnictogen compounds oxacyclic compounds pentose phosphates phenylimidazoles primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	monocyclic benzene moiety pentose phosphate monosaccharide imidazopyrimidine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound 3',5'-cyclic purine ribonucleotide oxacycle organic oxygen compound 2-phenylimidazole secondary alcohol hydrocarbon derivative benzenoid purine primary amine organic nitrogen compound organic phosphoric acid derivative amine organooxygen compound

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