DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 12:35:13 UTC
Update Date	2025-03-24 21:41:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01861190
Frequency	0.7
Structure
Chemical Formula	C₃₂H₄₇N₈O₂₄P₃
Molecular Mass	1020.1916
SMILES	CC(=O)NC1C(OP(=O)(O)OP(=O)(OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)OP(=O)(O)OCC2OC(N3C=CCC(C(N)=O)=C3)C(O)C2O)OC(CO)C(O)C1OC(C)C(=O)O
InChI Key	OMHYHDGHOIASSX-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	acetamides amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkyl ethers dihydropyridines enamines heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-acyl-alpha-hexosamines n-substituted imidazoles n-substituted nicotinamides organic oxides organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary alcohols primary amines primary carboxylic acid amides purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides sugar acids and derivatives tetrahydrofurans vinylogous amides
Substituents	carboxylic acid amino acid or derivatives nicotinamide monosaccharide pentose-5-phosphate nicotinamide-nucleotide imidazopyrimidine dialkyl ether muramic_acid saccharide organonitrogen compound dihydropyridine oxane organoheterocyclic compound acetamide alcohol vinylogous amide azacycle heteroaromatic compound secondary carboxylic acid amide monoalkyl phosphate hydrocarbon derivative primary amine amine enamine primary carboxylic acid amide carbonyl group ether pentose phosphate amino acid carboxylic acid derivative n-acyl-alpha-hexosamine pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound primary alcohol imidolactam azole n-substituted imidazole tetrahydrofuran 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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