DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:34:50 UTC
Update Date	2025-03-21 17:56:46 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00003471
Frequency	1711.2
Structure
Chemical Formula	C₂₀H₂₈N₄O₁₆P₂
Molecular Mass	642.0976
SMILES	NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4ccc(=O)[nH]c4=O)C(O)C3O)C(O)C2O)C=CC1
InChI Key	ITRUIUQGVDKIMU-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	azacyclic compounds carbonyl compounds carboxylic acids and derivatives dihydropyridines enamines heteroaromatic compounds hydrocarbon derivatives lactams monoalkyl phosphates monosaccharides n-substituted nicotinamides nicotinamide nucleotides organic carbonic acids and derivatives organic oxides organic pyrophosphates organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary carboxylic acid amides pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide carbonyl group lactam aromatic heteromonocyclic compound pentose phosphate nicotinamide monosaccharide pentose-5-phosphate pyrimidone nicotinamide-nucleotide carboxylic acid derivative pyrimidine saccharide organic oxide organonitrogen compound organopnictogen compound dihydropyridine organoheterocyclic compound alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound carboxamide group organic pyrophosphate n-substituted nicotinamide oxacycle pyrimidine ribonucleoside diphosphate organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound enamine

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