DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:59:00 UTC
Update Date	2025-03-21 18:05:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00059796
Frequency	52.5
Structure
Chemical Formula	C₂₁H₂₆N₆O₁₂P+
Molecular Mass	585.1341
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OCC2OC([n+]3cccc(C(=O)O)c3)C(O)C2O)C(O)C1O
InChI Key	RPELSJLEDMPYBK-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	amino acids azacyclic compounds carboxylic acids dialkyl phosphates heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles imidolactams monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles nicotinic acid nucleotides organic cations organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside monophosphates purines and purine derivatives pyridine-3-carboxylic acids pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans vinylogous amides
Substituents	pyridine carboxylic acid or derivatives carboxylic acid pentose phosphate amino acid or derivatives amino acid pyridine-3-carboxylic acid purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organic cation imidolactam organoheterocyclic compound azole n-substituted imidazole pyridine nucleotide alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound hydroxypyridine nicotinic-acid-nucleotide oxacycle dialkyl phosphate monocarboxylic acid or derivatives pyridine organic oxygen compound phosphoric acid ester pyridine carboxylic acid secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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