DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:35:21 UTC
Update Date	2025-03-24 22:08:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02003405
Frequency	0.6
Structure
Chemical Formula	C₃₁H₄₁N₁₂O₂₀P₃
Molecular Mass	994.1773
SMILES	NC(=O)C1=CN(C2OC(COP(=O)(OC3C(COP(=O)(O)O)OC(n4cnc5c(N)ncnc54)C3O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1
InChI Key	HCAKLPBGLICLJC-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 dialkyl phosphates dihydropyridines enamines heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles n-substituted nicotinamides organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides purine ribonucleoside 3',5'-bisphosphates purine ribonucleoside diphosphates purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives ribonucleoside 3'-phosphates secondary alcohols tetrahydrofurans vinylogous amides
Substituents	amino acid or derivatives purine ribonucleoside monophosphate nicotinamide monosaccharide pentose-5-phosphate nicotinamide-nucleotide imidazopyrimidine saccharide purine ribonucleoside diphosphate 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 pentose phosphate carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound imidolactam azole n-substituted imidazole purine ribonucleoside 3',5'-bisphosphate ribonucleoside 3'-phosphate tetrahydrofuran carboxamide group n-substituted nicotinamide oxacycle dialkyl phosphate organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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