DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:22:41 UTC
Update Date	2025-03-21 18:37:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00116854
Frequency	22.5
Structure
Chemical Formula	C₂₁H₂₈N₇O₁₄P₂+
Molecular Mass	664.1164
SMILES	NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OC3C(O)C(O)C(n4cnc5c(N)ncnc54)C3O)C(O)C2O)c1
InChI Key	GVJSBDFHYYVYMS-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyridine nucleotides
Subclass	pyridine nucleotides
Direct Parent	pyridine nucleotides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,3-substituted cyclopentyl purine nucleosides amino acids and derivatives azacyclic compounds carboxylic acids and derivatives cyclitols and derivatives cyclopentanols cyclopentyl nucleosides heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles nicotinamides organic cations organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides purines and purine derivatives pyridinecarboxylic acids and derivatives pyrimidines and pyrimidine derivatives tetrahydrofurans vinylogous amides
Substituents	pyridine carboxylic acid or derivatives amino acid or derivatives nicotinamide monosaccharide pentose-5-phosphate imidazopyrimidine saccharide organonitrogen compound organoheterocyclic compound cyclopentyl nucleoside pyridine nucleotide alcohol vinylogous amide azacycle heteroaromatic compound cyclitol or derivatives organic pyrophosphate pyridine monoalkyl phosphate hydrocarbon derivative primary amine amine primary carboxylic acid amide pentose phosphate carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound organic cation imidolactam azole n-substituted imidazole tetrahydrofuran hydroxypyridine cyclic alcohol carboxamide group cyclopentanol oxacycle 1,3-substituted cyclopentyl purine nucleoside organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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