DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:34:58 UTC
Update Date	2025-03-25 01:29:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02420278
Frequency	0.5
Structure
Chemical Formula	C₂₅H₃₃N₇O₂₂P₃+
Molecular Mass	876.0886
SMILES	Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC([n+]4cccc(C(=O)NC(CC(=O)O)C(=O)O)c4)C(O)C3O)C(O)C2O)c(=O)[nH]1
InChI Key	WVANQFHVBCSIOS-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	alpha amino acids amino acids aspartic acid and derivatives azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives hydroxypyridines hypoxanthines imidazoles lactams monoalkyl phosphates monosaccharides n-acyl-alpha amino acids n-substituted imidazoles nicotinamides organic cations organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside monophosphates purine ribonucleoside triphosphates purines and purine derivatives pyridinecarboxylic acids and derivatives pyrimidones secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	pyridine carboxylic acid or derivatives lactam carboxylic acid amino acid or derivatives purine ribonucleoside monophosphate nicotinamide monosaccharide pentose-5-phosphate alpha-amino acid or derivatives imidazopyrimidine saccharide organonitrogen compound alpha-amino acid purine ribonucleoside triphosphate organoheterocyclic compound n-acyl-alpha amino acid or derivatives pyridine nucleotide alcohol vinylogous amide azacycle n-acyl-alpha-amino acid heteroaromatic compound secondary carboxylic acid amide pyridine monoalkyl phosphate aspartic acid or derivatives dicarboxylic acid or derivatives hypoxanthine hydrocarbon derivative primary amine amine carbonyl group pentose phosphate amino acid pyrimidone carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound organic cation azole n-substituted imidazole tetrahydrofuran hydroxypyridine carboxamide group 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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