DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:35 UTC
Update Date	2025-03-25 00:57:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02223528
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₉N₄O₁₈P₃
Molecular Mass	694.069
SMILES	NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4cc[nH]c4=O)C(O)C3O)C(O)C2O)C=CC1
InChI Key	ISPWQYSVKAQMBY-UHFFFAOYSA-N
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 imidazole ribonucleosides and ribonucleotides imidazoles monoalkyl phosphates monosaccharides n-substituted imidazoles n-substituted nicotinamides organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary carboxylic acid amides secondary alcohols tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide imidazole ribonucleoside carbonyl group aromatic heteromonocyclic compound pentose phosphate nicotinamide monosaccharide pentose-5-phosphate nicotinamide-nucleotide carboxylic acid derivative saccharide organic oxide imidazole organonitrogen compound organopnictogen compound dihydropyridine organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound carboxamide group n-substituted nicotinamide oxacycle 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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