DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:40:20 UTC
Update Date	2025-03-24 22:10:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02015442
Frequency	0.6
Structure
Chemical Formula	C₂₃H₃₁F₃N₉O₂₃P₅S
Molecular Mass	1044.9894
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(=O)[nH]c(SCCC(F)(F)F)nc43)C(O)C2O)C(O)C1O
InChI Key	PNWAJBZPRRYPKB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside monophosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alkyl fluorides alkylarylthioethers azacyclic compounds heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles imidolactams lactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organofluorides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrimidones secondary alcohols sulfenyl compounds tetrahydrofurans vinylogous amides
Substituents	lactam pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine alkylarylthioether organosulfur compound organohalogen compound aryl thioether pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound alkyl halide imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide sulfenyl compound azacycle tetrahydrofuran alkyl fluoride organofluoride heteroaromatic compound oxacycle organic oxygen compound phosphoric acid ester thioether monoalkyl phosphate secondary alcohol hypoxanthine hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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