DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:36:14 UTC
Update Date	2025-03-21 17:57:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00006677
Frequency	768.5
Structure
Chemical Formula	C₂₂H₃₁N₄O₁₅P₂+
Molecular Mass	653.1256
SMILES	NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC([n+]4cccc(C(N)=O)c4)C(O)C3O)C(O)C2O)C=CC1
InChI Key	AQZNITXOXYVTGA-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 dihydropyridines enamines heteroaromatic compounds hydrocarbon derivatives hydroxypyridines monoalkyl phosphates monosaccharides n-substituted nicotinamides organic cations organic oxides organic pyrophosphates 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 organic pyrophosphate n-substituted nicotinamide oxacycle pyridine organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound enamine

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