DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:22:58 UTC
Update Date	2025-03-21 18:37:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00117539
Frequency	22.3
Structure
Chemical Formula	C₁₁H₁₈N₅O₁₄P₃
Molecular Mass	537.0063
SMILES	Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OCP(=O)(O)O)C(O)C2O)c(=O)[nH]1
InChI Key	KQIMVIIGJAXNQB-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	1,2-diols azacyclic compounds heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles lactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organic phosphonic acids and derivatives organic pyrophosphates organophosphorus compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside monophosphates purines and purine derivatives pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	lactam pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine pyrimidine saccharide organic oxide purine ribonucleoside diphosphate aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organophosphorus compound organophosphonic acid derivative organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound organic pyrophosphate 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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