DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:26:55 UTC
Update Date	2025-03-21 18:39:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00126851
Frequency	20.2
Structure
Chemical Formula	C₂₅H₃₂N₇O₁₈P₂+
Molecular Mass	780.1274
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC([n+]3cccc(C(=O)NC(CC(=O)O)C(=O)O)c3)C(O)C2O)C(O)C1O
InChI Key	XUXRXSFKJSEVCO-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 imidazoles imidolactams monoalkyl phosphates monosaccharides n-acyl-alpha amino acids n-substituted imidazoles nicotinamides organic cations organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside diphosphates purine ribonucleoside monophosphates purines and purine derivatives pyridinecarboxylic acids and derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	pyridine carboxylic acid or derivatives carboxylic acid amino acid or derivatives purine ribonucleoside monophosphate nicotinamide monosaccharide pentose-5-phosphate alpha-amino acid or derivatives imidazopyrimidine saccharide purine ribonucleoside diphosphate organonitrogen compound alpha-amino acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives pyridine nucleotide alcohol vinylogous amide azacycle n-acyl-alpha-amino acid heteroaromatic compound organic pyrophosphate secondary carboxylic acid amide pyridine monoalkyl phosphate aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary amine amine carbonyl group pentose phosphate amino acid carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound organic cation imidolactam 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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