DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 09:04:54 UTC
Update Date	2025-03-24 20:09:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01358947
Frequency	1.0
Structure
Chemical Formula	C₃₅H₄₃N₉O₂₀P₂
Molecular Mass	971.21
SMILES	NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4c(N)nc(=O)c5nc(CNc6ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc6)cnc54)C(O)C3O)C(O)C2O)C=CC1
InChI Key	HKAYMWCISROFHD-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 heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives dihydropyridines enamines glutamic acid and derivatives heteroaromatic compounds hippuric acids and derivatives hydrocarbon derivatives monoalkyl phosphates monosaccharides n-acyl-alpha amino acids n-substituted nicotinamides organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates phenylalkylamines primary amines primary carboxylic acid amides pterins and derivatives pyrazines pyrimidones secondary alcohols secondary alkylarylamines secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	monocyclic benzene moiety carboxylic acid amino acid or derivatives nicotinamide benzoyl monosaccharide pentose-5-phosphate alpha-amino acid or derivatives nicotinamide-nucleotide pteridine saccharide organonitrogen compound alpha-amino acid dihydropyridine organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol vinylogous amide pterin azacycle n-acyl-alpha-amino acid heteroaromatic compound glutamic acid or derivatives organic pyrophosphate secondary aliphatic/aromatic amine secondary carboxylic acid amide monoalkyl phosphate dicarboxylic acid or derivatives hydrocarbon derivative primary amine amine enamine primary carboxylic acid amide carbonyl group pentose phosphate amino acid pyrimidone carboxylic acid derivative benzamide pyrimidine organic oxide aromatic heteropolycyclic compound organopnictogen compound tetrahydrofuran hippuric acid or derivatives benzoic acid or derivatives secondary amine carboxamide group n-substituted nicotinamide oxacycle organic oxygen compound phosphoric acid ester pyrazine secondary alcohol phenylalkylamine benzenoid organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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