DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 17:26:00 UTC
Update Date	2025-03-25 01:51:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02539356
Frequency	0.5
Structure
Chemical Formula	C₂₇H₃₈N₇O₂₃P₃
Molecular Mass	921.1232
SMILES	NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OC4OC(C(=O)O)C(O)C(O)C4O)C3O)C(O)C2O)C=CC1
InChI Key	UMZIKHRFRSQHGU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyridine nucleotides
Subclass	nicotinamide nucleotides
Direct Parent	nicotinamide nucleotides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	acetals amino acids azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dihydropyridines enamines glucuronic acid derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles n-substituted nicotinamides o-glucuronides organic oxides organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary amines primary carboxylic acid amides purine ribonucleoside monophosphates purine ribonucleoside triphosphates purines and purine derivatives pyran carboxylic acids pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans vinylogous amides
Substituents	carboxylic acid amino acid or derivatives purine ribonucleoside monophosphate nicotinamide o-glucuronide monosaccharide pentose-5-phosphate nicotinamide-nucleotide imidazopyrimidine pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide acetal organonitrogen compound dihydropyridine oxane purine ribonucleoside triphosphate organoheterocyclic compound alcohol vinylogous amide azacycle heteroaromatic compound monoalkyl phosphate hydrocarbon derivative primary amine amine enamine primary carboxylic acid amide carbonyl group glucuronic acid or derivatives pentose phosphate amino acid carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound imidolactam azole n-substituted imidazole pyran carboxylic acid or derivatives tetrahydrofuran hydroxy acid carboxamide group n-substituted nicotinamide oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester pyran secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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