DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:11:06 UTC
Update Date	2025-03-21 18:31:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00088621
Frequency	32.0
Structure
Chemical Formula	C₂₀H₂₇N₅O₁₁P+
Molecular Mass	544.1439
SMILES	NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OCC3OC(n4ccc(N)nc4=O)CC3O)C(O)C2O)c1
InChI Key	ALJUAVZDOYVLSH-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleotides
Subclass	pyrimidine deoxyribonucleotides
Direct Parent	pyrimidine 2'-deoxyribonucleoside monophosphates
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	amino acids and derivatives azacyclic compounds carboxylic acids and derivatives dialkyl phosphates heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidolactams 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 monophosphate 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 dialkyl phosphate pyridine organic oxygen compound phosphoric acid ester secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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