DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:24:35 UTC
Update Date	2025-03-21 18:38:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00121354
Frequency	21.4
Structure
Chemical Formula	C₂₀H₃₁N₆O₁₈P₃
Molecular Mass	736.0908
SMILES	NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4cnc(C(N)=O)c4N)C(O)C3O)C(O)C2O)C=CC1
InChI Key	YYBDXPLVFOZZEX-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	1-ribosyl-imidazolecarboxamides 2-heteroaryl carboxamides amino acids and derivatives azacyclic compounds carbonyl compounds carbonylimidazoles carboxylic acids and derivatives dihydropyridines enamines heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkyl phosphates monosaccharides n-substituted imidazoles n-substituted nicotinamides organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides secondary alcohols tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide carbonyl group imidazole ribonucleoside aromatic heteromonocyclic compound pentose phosphate amino acid or derivatives nicotinamide monosaccharide pentose-5-phosphate nicotinamide-nucleotide carboxylic acid derivative 2-heteroaryl carboxamide saccharide organic oxide imidazole organonitrogen compound organopnictogen compound imidazole-4-carbonyl group dihydropyridine organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound carboxamide group 1-ribosyl-imidazolecarboxamide n-substituted nicotinamide oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound enamine

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