DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:19 UTC
Update Date	2025-03-25 00:47:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160894
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₅N₅O₁₄P₂S
Molecular Mass	522.9811
SMILES	Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)O)C(OS(=O)(=O)O)C2O)c(=O)[nH]1
InChI Key	VYDXXTCUKKWMRF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside diphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alkyl sulfates azacyclic compounds heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles lactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside monophosphates purines and purine derivatives pyrimidones secondary alcohols sulfuric acid monoesters tetrahydrofurans vinylogous amides
Substituents	sulfuric acid monoester lactam pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine pyrimidine saccharide organic oxide purine ribonucleoside diphosphate aromatic heteropolycyclic compound imidazole alkyl sulfate organonitrogen compound organopnictogen compound organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide organic sulfuric acid or derivatives azacycle tetrahydrofuran heteroaromatic compound organic pyrophosphate oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hypoxanthine sulfate-ester hydrocarbon derivative purine primary amine organic nitrogen compound sulfuric acid ester organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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