DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:01:28 UTC
Update Date	2025-03-21 18:06:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00065654
Frequency	46.6
Structure
Chemical Formula	C₁₈H₂₆N₆O₁₆P₂
Molecular Mass	644.0881
SMILES	NC(=O)c1ncn(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4ccc(=O)[nH]c4=O)C(O)C3O)C(O)C2O)c1N
InChI Key	JJAIEQNMUQKQBQ-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	1-ribosyl-imidazolecarboxamides 2-heteroaryl carboxamides amino acids and derivatives azacyclic compounds carbonyl compounds carbonylimidazoles carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles lactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic carbonic acids and derivatives organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide carbonyl group imidazole ribonucleoside lactam aromatic heteromonocyclic compound pentose phosphate amino acid or derivatives monosaccharide pentose-5-phosphate pyrimidone carboxylic acid derivative 2-heteroaryl carboxamide pyrimidine saccharide organic oxide imidazole organonitrogen compound organopnictogen compound imidazole-4-carbonyl group organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound carboxamide group organic pyrophosphate 1-ribosyl-imidazolecarboxamide oxacycle 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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