DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:26 UTC
Update Date	2025-03-25 00:57:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02225393
Frequency	0.5
Structure
Chemical Formula	C₂₂H₂₉N₇O₁₅P₂
Molecular Mass	693.1197
SMILES	CC(=O)Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)c(=O)c1
InChI Key	RQGNWDADYWHUSR-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	acetamides amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles imidolactams lactams methylpyridines monoalkyl phosphates monosaccharides n-acetylarylamines n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside monophosphates purines and purine derivatives pyridinones pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	lactam n-acetylarylamine amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine saccharide purine ribonucleoside diphosphate organonitrogen compound organoheterocyclic compound acetamide alcohol vinylogous amide azacycle heteroaromatic compound organic pyrophosphate secondary carboxylic acid amide pyridine monoalkyl phosphate hydrocarbon derivative primary amine amine carbonyl group pentose phosphate n-arylamide carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound imidolactam azole n-substituted imidazole tetrahydrofuran hydroxypyridine methylpyridine carboxamide group oxacycle organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound pyridinone organic phosphoric acid derivative alkyl phosphate organooxygen compound

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