DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 06:48:00 UTC
Update Date	2025-03-24 17:58:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01029381
Frequency	1.4
Structure
Chemical Formula	C₃₂H₄₄N₉O₂₄P₄+
Molecular Mass	1062.1444
SMILES	NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OC3C(O)C(COP(=O)(O)OP(=O)(O)OCC4OC([n+]5cccc(C(N)=O)c5)C(O)C4O)OC3n3cnc4c(N)ncnc43)C(O)C2O)C=CC1
InChI Key	GWIIKWZTUUVTSX-UHFFFAOYSA-O
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	amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives dihydropyridines enamines heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles n-substituted nicotinamides nicotinamide nucleotides organic cations organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides purine ribonucleoside 2',5'-bisphosphates purines and purine derivatives pyridinecarboxylic acids and derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans vinylogous amides
Substituents	pyridine carboxylic acid or derivatives amino acid or derivatives nicotinamide monosaccharide pentose-5-phosphate nicotinamide-nucleotide imidazopyrimidine saccharide purine ribonucleoside diphosphate purine ribonucleoside 2',5'-bisphosphate organonitrogen compound dihydropyridine organoheterocyclic compound pyridine nucleotide alcohol vinylogous amide azacycle heteroaromatic compound organic pyrophosphate pyridine monoalkyl phosphate hydrocarbon derivative primary amine amine enamine primary carboxylic acid amide carbonyl group pentose phosphate carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound organic cation imidolactam azole n-substituted imidazole tetrahydrofuran hydroxypyridine carboxamide group n-substituted nicotinamide oxacycle organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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