DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 09:08:56 UTC
Update Date	2025-03-24 20:11:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01368727
Frequency	1.0
Structure
Chemical Formula	C₂₈H₄₀N₇O₂₃P₃
Molecular Mass	935.1388
SMILES	NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(CO)C(OCC4OC(n5cnc6c(N)ncnc65)C(O)C4OP(=O)(O)O)(C(=O)O)C3O)C(O)C2O)C=CC1
InChI Key	ZNHHXQFCFWJVSO-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	amino acids azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dialkyl ethers dihydropyridines enamines heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles n-substituted nicotinamides organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary alcohols primary amines primary carboxylic acid amides purines and purine derivatives pyrimidines and pyrimidine derivatives ribonucleoside 3'-phosphates secondary alcohols tetrahydrofurans vinylogous amides
Substituents	carboxylic acid amino acid or derivatives nicotinamide monosaccharide pentose-5-phosphate nicotinamide-nucleotide imidazopyrimidine dialkyl ether beta-hydroxy acid saccharide organonitrogen compound dihydropyridine organoheterocyclic compound alcohol vinylogous amide azacycle heteroaromatic compound organic pyrophosphate monoalkyl phosphate hydrocarbon derivative primary amine amine enamine primary carboxylic acid amide carbonyl group ether pentose phosphate amino acid carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound primary alcohol imidolactam azole n-substituted imidazole ribonucleoside 3'-phosphate tetrahydrofuran hydroxy acid carboxamide group n-substituted nicotinamide oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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