DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 08:25:22 UTC
Update Date	2025-03-25 00:17:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01265395
Frequency	1.1
Structure
Chemical Formula	C₂₃H₃₅N₇O₂₁P₄
Molecular Mass	869.0836
SMILES	CN(C)c1nc(=O)c2ncn(C3OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4OC(N5C=CCC(C(N)=O)=C5)C(O)C4O)C(O)C3O)c2[nH]1
InChI Key	RGOWEJWEUBCOQN-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	aminopyrimidines and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives dialkylarylamines dihydropyridines enamines heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles monoalkyl phosphates monosaccharides n-substituted imidazoles n-substituted nicotinamides nicotinamide nucleotides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary carboxylic acid amides purines and purine derivatives pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide carbonyl group pentose phosphate purine ribonucleoside monophosphate nicotinamide monosaccharide pentose-5-phosphate pyrimidone nicotinamide-nucleotide imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound dihydropyridine dialkylarylamine organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound carboxamide group aminopyrimidine n-substituted nicotinamide oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hypoxanthine hydrocarbon derivative purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound enamine

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