DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 10:37:53 UTC
Update Date	2025-03-24 20:50:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01581474
Frequency	0.8
Structure
Chemical Formula	C₃₂H₄₅N₁₂O₂₅P₅
Molecular Mass	1152.1307
SMILES	NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)OP(=O)(O)OCC4OC(n5cnc6c(N)ncnc65)C(O)C4CP(=O)(O)O)C3O)C(O)C2O)C=CC1
InChI Key	HYCQQWICMZHYMF-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	amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives dihydropyridines enamines heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles n-substituted nicotinamides nicotinamide nucleotides organic oxides organic phosphonic acids and derivatives organic pyrophosphates organophosphorus compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides purine 3'-deoxyribonucleoside diphosphates purine ribonucleoside 2',5'-bisphosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans vinylogous amides
Substituents	amino acid or derivatives nicotinamide monosaccharide pentose-5-phosphate nicotinamide-nucleotide imidazopyrimidine saccharide purine ribonucleoside diphosphate purine ribonucleoside 2',5'-bisphosphate organonitrogen compound organophosphorus compound dihydropyridine organophosphonic acid derivative organoheterocyclic compound alcohol vinylogous amide azacycle heteroaromatic compound purine 3'-deoxyribonucleoside diphosphate organic pyrophosphate 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 imidolactam azole n-substituted imidazole tetrahydrofuran 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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