DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:27:28 UTC
Update Date	2025-03-21 18:40:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00128192
Frequency	19.9
Structure
Chemical Formula	C₁₂H₁₉N₃O₁₄P₂
Molecular Mass	491.0342
SMILES	Nc1ccn(C2OC(COP(=O)(O)OC(COP(=O)(O)O)C(=O)O)C(O)C2O)c(=O)n1
InChI Key	AGFXAJYAQZQVPP-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	1,2-diols amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkyl phosphates heteroaromatic compounds hydrocarbon derivatives imidolactams monoalkyl phosphates 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 monosaccharide pentose-5-phosphate pyrimidone carboxylic acid derivative pyrimidine saccharide organic oxide glyceric_acid organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound 1,2-diol alcohol carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound oxacycle dialkyl phosphate pyrimidine ribonucleoside monophosphate monocarboxylic acid or derivatives 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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