DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:14 UTC
Update Date	2025-03-25 00:51:37 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02188166
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₇N₄O₁₈P₃
Molecular Mass	656.0533
SMILES	CC(=O)NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(N)nc3=O)C(O)C2O)OC(CO)C1OP(=O)(O)O
InChI Key	KSYTUAZEQHBESC-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	acetamides amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidolactams monoalkyl phosphates monosaccharides organic carbonic acids and derivatives organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary alcohols primary amines pyrimidones secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	carbonyl group aromatic heteromonocyclic compound pentose phosphate amino acid or derivatives monosaccharide pentose-5-phosphate pyrimidone carboxylic acid derivative pyrimidine saccharide organic oxide organonitrogen compound organopnictogen compound primary alcohol imidolactam organoheterocyclic compound acetamide alcohol carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound carboxamide group organic pyrophosphate oxacycle secondary carboxylic acid amide 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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