DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:00 UTC
Update Date	2025-03-25 00:51:11 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185289
Frequency	0.5
Structure
Chemical Formula	C₂₂H₃₀N₇O₁₀P
Molecular Mass	583.1792
SMILES	NC(=O)C1=CN(C2OC(COP(=O)(O)OCC3CC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1
InChI Key	UWCBPAUNIRQYQI-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	1,3-substituted cyclopentyl purine nucleosides amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives cyclic alcohols and derivatives cyclopentanols cyclopentyl nucleosides dialkyl phosphates dihydropyridines enamines heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-substituted imidazoles n-substituted nicotinamides organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides purine nucleosides purines and purine derivatives pyrimidines and pyrimidine derivatives tetrahydrofurans vinylogous amides
Substituents	amino acid or derivatives nicotinamide monosaccharide pentose-5-phosphate nicotinamide-nucleotide imidazopyrimidine saccharide organonitrogen compound dihydropyridine organoheterocyclic compound cyclopentyl nucleoside alcohol vinylogous amide azacycle purine nucleoside heteroaromatic compound 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 cyclic alcohol carboxamide group cyclopentanol n-substituted nicotinamide oxacycle 1,3-substituted cyclopentyl purine nucleoside dialkyl phosphate organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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