DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:37:47 UTC
Update Date	2025-03-25 00:45:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02150636
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₆N₅O₁₀P
Molecular Mass	527.1417
SMILES	COc1cc(CC(O)COP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)ccc1O
InChI Key	ATKGHMNSKCANDV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside monophosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alkyl aryl ethers anisoles azacyclic compounds dialkyl phosphates heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams methoxybenzenes methoxyphenols monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates phenoxy compounds primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	phenol ether monocyclic benzene moiety ether pentose phosphate purine ribonucleoside monophosphate 1-hydroxy-2-unsubstituted benzenoid methoxyphenol monosaccharide pentose-5-phosphate imidazopyrimidine alkyl aryl ether pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound methoxybenzene oxacycle dialkyl phosphate organic oxygen compound phosphoric acid ester anisole secondary alcohol phenol hydrocarbon derivative benzenoid purine primary amine organic nitrogen compound phenoxy compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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