DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:05:21 UTC
Update Date	2025-03-21 18:28:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00074984
Frequency	39.5
Structure
Chemical Formula	C₁₁H₁₄N₅O₆P
Molecular Mass	343.0682
SMILES	COP1(=O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O1
InChI Key	NVGFLXWMWDMWLX-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 heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates phosphate esters primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	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 phosphoric acid ester secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine organooxygen compound

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