DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:58:21 UTC
Update Date	2025-03-21 18:05:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00058270
Frequency	54.3
Structure
Chemical Formula	C₂₄H₃₄N₆O₁₉P₂
Molecular Mass	772.1354
SMILES	NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc(C(=O)NC(CC(=O)O)C(=O)O)c4N)C(O)C3O)C(O)C2O)C=CC1
InChI Key	KRTPPBKOZCEGIM-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 alpha amino acids amino acids aspartic acid and derivatives azacyclic compounds carbonyl compounds carbonylimidazoles carboxylic acids dicarboxylic acids and derivatives dihydropyridines enamines heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkyl phosphates monosaccharides n-acyl-alpha amino acids n-substituted imidazoles n-substituted nicotinamides organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	carboxylic acid amino acid or derivatives nicotinamide monosaccharide pentose-5-phosphate alpha-amino acid or derivatives nicotinamide-nucleotide 2-heteroaryl carboxamide saccharide organonitrogen compound alpha-amino acid dihydropyridine organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol vinylogous amide azacycle n-acyl-alpha-amino acid heteroaromatic compound organic pyrophosphate secondary carboxylic acid amide monoalkyl phosphate aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary amine amine enamine primary carboxylic acid amide carbonyl group imidazole ribonucleoside aromatic heteromonocyclic compound pentose phosphate amino acid carboxylic acid derivative organic oxide imidazole organopnictogen compound imidazole-4-carbonyl group azole n-substituted imidazole tetrahydrofuran carboxamide group 1-ribosyl-imidazolecarboxamide n-substituted nicotinamide oxacycle organic oxygen compound phosphoric acid ester secondary alcohol organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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