DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:52 UTC
Update Date	2025-03-25 00:46:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02153170
Frequency	0.5
Structure
Chemical Formula	C₂₂H₃₃N₇O₁₈P₄
Molecular Mass	807.0833
SMILES	NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)O[PH](=O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3CP(=O)(O)O)C(O)C2O)C=CC1
InChI Key	PPIPLFCKBAQFDK-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 and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives dihydropyridines enamines heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles n-substituted nicotinamides organic oxides organic phosphonic acids and derivatives organic pyrophosphates organophosphorus compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides purine 3'-deoxyribonucleosides purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans vinylogous amides
Substituents	amino acid or derivatives nicotinamide monosaccharide pentose-5-phosphate nicotinamide-nucleotide imidazopyrimidine saccharide organonitrogen compound organophosphorus compound dihydropyridine organophosphonic acid derivative organoheterocyclic compound alcohol vinylogous amide azacycle purine nucleoside heteroaromatic compound organic pyrophosphate monoalkyl phosphate hydrocarbon derivative primary amine amine enamine primary carboxylic acid amide carbonyl group pentose phosphate carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound imidolactam azole n-substituted imidazole tetrahydrofuran carboxamide group n-substituted nicotinamide oxacycle purine 3'-deoxyribonucleoside organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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