DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:44:42 UTC
Update Date	2025-03-21 18:00:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00025981
Frequency	147.9
Structure
Chemical Formula	C₂₀H₂₉N₄O₂₂P₄+
Molecular Mass	801.0218
SMILES	NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4ccc(=O)[nH]c4=O)C(O)C3O)C(O)C2O)c1
InChI Key	OQTLVBRNNWJMLJ-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleotides
Subclass	pyrimidine ribonucleotides
Direct Parent	pyrimidine ribonucleoside 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 pyrimidine ribonucleoside polyphosphate 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 organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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