DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:58:43 UTC
Update Date	2025-03-21 18:05:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00059113
Frequency	53.3
Structure
Chemical Formula	C₁₂H₁₉N₃O₁₄P₂
Molecular Mass	491.0342
SMILES	Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OCC(O)C(=O)O)C(O)C2O)c(=O)n1
InChI Key	NGILIRPCMHWZJB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleotides
Subclass	pyrimidine ribonucleotides
Direct Parent	pyrimidine ribonucleoside diphosphates
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha hydroxy acids and derivatives amino acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidolactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides organic carbonic acids and derivatives organic oxides organic pyrophosphates 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 organic pyrophosphate oxacycle monocarboxylic acid or derivatives pyrimidine ribonucleoside diphosphate 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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