DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:34:02 UTC
Update Date	2025-03-25 00:44:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02141853
Frequency	0.6
Structure
Chemical Formula	C₂₀H₂₉N₈O₂₅P₅
Molecular Mass	935.9932
SMILES	Nc1nc(=O)n(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)cc1C(=O)O
InChI Key	XKDSFLFYTWKFHZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleotides
Subclass	pyrimidine ribonucleotides
Direct Parent	pyrimidine ribonucleoside polyphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids azacyclic compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside monophosphates purines and purine derivatives pyrimidinecarboxylic acids pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	carboxylic acid pentose phosphate amino acid or derivatives amino acid purine ribonucleoside monophosphate pyrimidine ribonucleoside polyphosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound pyrimidine-5-carboxylic acid or derivatives pyrimidine-5-carboxylic acid oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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