DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:06:07 UTC
Update Date	2025-03-21 18:29:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00076837
Frequency	38.3
Structure
Chemical Formula	C₁₂H₁₈N₃O₁₁P
Molecular Mass	411.0679
SMILES	Nc1ccn(C2OC(COP(=O)(O)OCC(O)C(=O)O)C(O)C2O)c(=O)n1
InChI Key	KMPCUSZLQMEPHI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleotides
Subclass	pyrimidine ribonucleotides
Direct Parent	pyrimidine ribonucleoside monophosphates
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha hydroxy acids and derivatives amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkyl phosphates heteroaromatic compounds hydrocarbon derivatives imidolactams monocarboxylic acids and derivatives monosaccharides organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines pyrimidones secondary alcohols sugar acids and derivatives tetrahydrofurans
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound pentose phosphate amino acid or derivatives amino acid alpha-hydroxy acid monosaccharide pentose-5-phosphate pyrimidone carboxylic acid derivative pyrimidine saccharide organic oxide glyceric_acid organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound alcohol carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound hydroxy acid oxacycle dialkyl phosphate pyrimidine ribonucleoside monophosphate monocarboxylic acid or derivatives 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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