DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:59 UTC
Update Date	2025-03-25 00:51:11 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185269
Frequency	0.5
Structure
Chemical Formula	C₂₂H₂₉N₇O₁₆P₂
Molecular Mass	709.1146
SMILES	NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)(C(=O)O)C2O)C=CC1
InChI Key	NPOKDGXRMTVSTJ-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	alpha hydroxy acids and derivatives amino acids azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dihydropyridines enamines heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles n-substituted nicotinamides organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides purine ribonucleoside diphosphates purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tertiary alcohols tetrahydrofurans vinylogous amides
Substituents	carboxylic acid amino acid or derivatives purine ribonucleoside monophosphate nicotinamide monosaccharide pentose-5-phosphate nicotinamide-nucleotide imidazopyrimidine beta-hydroxy acid saccharide purine ribonucleoside diphosphate organonitrogen compound dihydropyridine organoheterocyclic compound alcohol vinylogous amide azacycle heteroaromatic compound organic pyrophosphate monoalkyl phosphate hydrocarbon derivative primary amine amine enamine primary carboxylic acid amide carbonyl group pentose phosphate amino acid alpha-hydroxy acid carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound imidolactam azole n-substituted imidazole tetrahydrofuran hydroxy acid carboxamide group n-substituted nicotinamide oxacycle tertiary alcohol monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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