DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 05:45:55 UTC
Update Date	2025-03-24 14:34:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00880485
Frequency	1.7
Structure
Chemical Formula	C₂₄H₃₃F₃N₇O₁₇P₃S
Molecular Mass	873.0819
SMILES	NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)nc(SCCC(F)(F)F)nc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1
InChI Key	ARPZYFIGWMDGBM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside diphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alkyl fluorides alkylarylthioethers amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives dihydropyridines enamines heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles n-substituted nicotinamides nicotinamide nucleotides organic oxides organic pyrophosphates organofluorides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides purine ribonucleoside 2',5'-bisphosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols sulfenyl compounds tetrahydrofurans vinylogous amides
Substituents	amino acid or derivatives nicotinamide monosaccharide pentose-5-phosphate nicotinamide-nucleotide imidazopyrimidine aryl thioether saccharide purine ribonucleoside diphosphate purine ribonucleoside 2',5'-bisphosphate organonitrogen compound dihydropyridine organoheterocyclic compound alcohol vinylogous amide sulfenyl compound azacycle alkyl fluoride heteroaromatic compound organic pyrophosphate thioether monoalkyl phosphate hydrocarbon derivative primary amine amine enamine primary carboxylic acid amide carbonyl group pentose phosphate alkylarylthioether organosulfur compound carboxylic acid derivative organohalogen compound pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound alkyl halide imidolactam azole n-substituted imidazole tetrahydrofuran organofluoride carboxamide group n-substituted nicotinamide oxacycle organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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