DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:47:17 UTC
Update Date	2025-03-21 18:01:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00032030
Frequency	114.5
Structure
Chemical Formula	C₂₂H₃₀N₇O₁₅P₂+
Molecular Mass	694.127
SMILES	NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C(O)C2O)c1
InChI Key	OCOFZMGFSZMQOU-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	monosaccharides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids and derivatives azacyclic compounds carboxylic acids and derivatives heteroaromatic compounds hexose phosphates hydrocarbon derivatives hydroxypyridines imidazoles imidolactams monoalkyl phosphates n-substituted imidazoles nicotinamides organic cations organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary amines primary carboxylic acid amides purine ribonucleoside diphosphates purine ribonucleoside monophosphates purines and purine derivatives pyridinecarboxylic acids and derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide pyridine carboxylic acid or derivatives pentose phosphate amino acid or derivatives purine ribonucleoside monophosphate nicotinamide monosaccharide pentose-5-phosphate imidazopyrimidine carboxylic acid derivative pyrimidine organic oxide purine ribonucleoside diphosphate aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organic cation oxane imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound hydroxypyridine carboxamide group organic pyrophosphate oxacycle pyridine phosphoric acid ester monoalkyl phosphate secondary alcohol hexose phosphate hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate

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