DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:11:43 UTC
Update Date	2025-03-25 00:36:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02089921
Frequency	0.6
Structure
Chemical Formula	C₃₀H₄₀N₁₀O₂₁P₃+
Molecular Mass	969.1577
SMILES	NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)OP(=O)(O)OCC3OC(n4ccc(N)nc4=O)C(O)C3O)C(O)C2O)c1
InChI Key	GWYLZTNMPNWBNJ-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleotides
Subclass	pyrimidine ribonucleotides
Direct Parent	pyrimidine ribonucleoside triphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids and derivatives azacyclic compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles nicotinamides organic carbonic acids and derivatives organic cations organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides purines and purine derivatives pyridine nucleotides pyridinecarboxylic acids and derivatives pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide pyridine carboxylic acid or derivatives pyrimidine ribonucleoside triphosphate pentose phosphate amino acid or derivatives nicotinamide monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organic cation imidolactam organoheterocyclic compound azole n-substituted imidazole pyridine nucleotide alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound hydroxypyridine carboxamide group oxacycle pyridine organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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