DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:07:13 UTC
Update Date	2025-03-21 18:29:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00079539
Frequency	36.7
Structure
Chemical Formula	C₂₀H₂₉N₄O₂₁P₄+
Molecular Mass	785.0269
SMILES	NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4ccc(=O)[nH]c4=O)CC3O)C(O)C2O)c1
InChI Key	NICOXIYQKXZKDK-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleotides
Subclass	pyrimidine deoxyribonucleotides
Direct Parent	pyrimidine 2'-deoxyribonucleoside polyphosphates
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	azacyclic compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives hydroxypyridines lactams monoalkyl phosphates monosaccharides nicotinamides organic carbonic acids and derivatives organic cations organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates 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 lactam aromatic heteromonocyclic compound pentose phosphate nicotinamide monosaccharide pentose-5-phosphate pyrimidone carboxylic acid derivative pyrimidine saccharide organic oxide organonitrogen compound organopnictogen compound organic cation 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 pyrimidine 2'-deoxyribonucleoside polyphosphate organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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