DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:57:13 UTC
Update Date	2025-03-25 01:38:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02472490
Frequency	0.5
Structure
Chemical Formula	C₂₉H₄₂N₈O₂₂P₃+
Molecular Mass	947.1621
SMILES	CC(=O)NC1C(OP(=O)(O)OP(=O)(OCC2OC([n+]3cccc(C(N)=O)c3)C(O)C2O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)OC(CO)C(O)C1O
InChI Key	NSXSQRMHKIYNTI-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	n-acyl-alpha-hexosamines
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	acetamides amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles imidolactams methylpyridines monoalkyl phosphates monosaccharides n-substituted imidazoles nicotinamides organic cations organic oxides organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary alcohols primary amines primary carboxylic acid amides purine ribonucleoside monophosphates purine ribonucleoside triphosphates purines and purine derivatives pyridine nucleotides pyridinecarboxylic acids and derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	pyridine carboxylic acid or derivatives amino acid or derivatives purine ribonucleoside monophosphate nicotinamide monosaccharide pentose-5-phosphate imidazopyrimidine organonitrogen compound oxane purine ribonucleoside triphosphate organoheterocyclic compound acetamide pyridine nucleotide alcohol vinylogous amide azacycle heteroaromatic compound secondary carboxylic acid amide pyridine monoalkyl phosphate hydrocarbon derivative primary amine amine primary carboxylic acid amide carbonyl group pentose phosphate carboxylic acid derivative n-acyl-alpha-hexosamine pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound organic cation primary alcohol imidolactam azole n-substituted imidazole tetrahydrofuran hydroxypyridine methylpyridine carboxamide group oxacycle phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate

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