DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:46:56 UTC
Update Date	2025-03-21 18:01:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00031164
Frequency	118.6
Structure
Chemical Formula	C₂₂H₃₀N₄O₁₂P+
Molecular Mass	573.1592
SMILES	NC(=O)C1=CN(C2OC(COP(=O)(O)OCC3OC([n+]4cccc(C(N)=O)c4)C(O)C3O)C(O)C2O)C=CC1
InChI Key	NKJOJLVHADFPCZ-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyridine nucleotides
Subclass	nicotinamide nucleotides
Direct Parent	nicotinamide nucleotides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	azacyclic compounds carbonyl compounds carboxylic acids and derivatives dialkyl phosphates dihydropyridines enamines heteroaromatic compounds hydrocarbon derivatives hydroxypyridines monosaccharides n-substituted nicotinamides organic cations organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary carboxylic acid amides pyridinecarboxylic acids and derivatives secondary alcohols tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide pyridine carboxylic acid or derivatives carbonyl group aromatic heteromonocyclic compound pentose phosphate nicotinamide monosaccharide pentose-5-phosphate nicotinamide-nucleotide carboxylic acid derivative saccharide organic oxide organonitrogen compound organopnictogen compound organic cation dihydropyridine organoheterocyclic compound alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound hydroxypyridine carboxamide group n-substituted nicotinamide oxacycle dialkyl phosphate pyridine organic oxygen compound phosphoric acid ester secondary alcohol hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound enamine

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