DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:45:00 UTC
Update Date	2025-03-21 18:00:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00026691
Frequency	143.0
Structure
Chemical Formula	C₂₀H₂₉N₅O₁₇P₃+
Molecular Mass	704.0766
SMILES	NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4ccc(N)nc4=O)CC3O)C(O)C2O)c1
InChI Key	JXDMNFZPMYQSHZ-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleotides
Subclass	pyrimidine deoxyribonucleotides
Direct Parent	pyrimidine 2'-deoxyribonucleoside triphosphates
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 organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides pyridine nucleotides pyridinecarboxylic acids and derivatives 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 2'-deoxyribonucleoside triphosphate saccharide organic oxide organonitrogen compound organopnictogen compound organic cation imidolactam organoheterocyclic compound pyridine nucleotide alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound hydroxypyridine carboxamide group 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

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