DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:31:02 UTC
Update Date	2025-03-21 18:41:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00136423
Frequency	18.4
Structure
Chemical Formula	C₂₂H₃₁N₁₀O₁₇P₃
Molecular Mass	800.1081
SMILES	CN(C)c1nc(=O)c2ncn(C3OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4OC(n5cnc6c(N)ncnc65)C(O)C4O)C(O)C3O)c2[nH]1
InChI Key	YJPZEAKJASXSFE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside triphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	aminopyrimidines and derivatives azacyclic compounds dialkylarylamines heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside monophosphates purines and purine derivatives pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound dialkylarylamine imidolactam purine ribonucleoside triphosphate organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound aminopyrimidine oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hypoxanthine hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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