DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:10 UTC
Update Date	2025-03-25 00:53:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02199326
Frequency	0.5
Structure
Chemical Formula	C₂₂H₃₀N₆O₁₅P₂
Molecular Mass	680.1244
SMILES	NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3C(O)C(O)C(n4cnc5c(=O)[nH]cnc54)C3O)C(O)C2O)C=CC1
InChI Key	XKRSYVVLQFQAEN-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	azacyclic compounds carbonyl compounds carboxylic acids and derivatives cyclitols and derivatives cyclopentanols dihydropyridines enamines heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles lactams monoalkyl phosphates monosaccharides n-substituted imidazoles n-substituted nicotinamides nucleoside and nucleotide analogues organic oxides organic pyrophosphates organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary carboxylic acid amides purine nucleosides purines and purine derivatives pyrimidones tetrahydrofurans vinylogous amides
Substituents	lactam nicotinamide monosaccharide pentose-5-phosphate nicotinamide-nucleotide imidazopyrimidine saccharide organonitrogen compound dihydropyridine organoheterocyclic compound alcohol vinylogous amide azacycle purine nucleoside heteroaromatic compound cyclitol or derivatives organic pyrophosphate monoalkyl phosphate hypoxanthine hydrocarbon derivative enamine primary carboxylic acid amide carbonyl group pentose phosphate pyrimidone carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound azole n-substituted imidazole tetrahydrofuran cyclic alcohol carboxamide group cyclopentanol 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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