DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:12:18 UTC
Update Date	2025-03-21 18:32:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00091490
Frequency	30.7
Structure
Chemical Formula	C₂₀H₂₉N₅O₁₈P₃+
Molecular Mass	720.0715
SMILES	NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4ccc(N)nc4=O)C(OP(=O)(O)O)C3O)C(O)C2O)c1
InChI Key	USMULNAUTBFLNR-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyridine nucleotides
Subclass	pyridine nucleotides
Direct Parent	pyridine nucleotides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	amino acids and derivatives azacyclic compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidolactams monoalkyl phosphates monosaccharides nicotinamides organic carbonic acids and derivatives organic cations organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides pyridinecarboxylic acids and derivatives pyrimidine nucleosides pyrimidine ribonucleoside 2',5'-bisphosphates pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide pyridine carboxylic acid or derivatives aromatic heteromonocyclic compound pentose phosphate amino acid or derivatives nicotinamide monosaccharide pentose-5-phosphate pyrimidone carboxylic acid derivative pyrimidine pyrimidine ribonucleoside 2',5'-bisphosphate saccharide organic oxide organonitrogen compound organopnictogen compound pyrimidine nucleoside organic cation imidolactam organoheterocyclic compound pyridine nucleotide alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound hydroxypyridine carboxamide group organic pyrophosphate oxacycle pyridine organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound pyrimidine ribonucleoside bisphosphate

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