DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 03:40:08 UTC
Update Date	2025-03-21 22:53:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00580746
Frequency	2.8
Structure
Chemical Formula	C₂₇H₃₇F₃N₁₀O₁₃P₂S₂
Molecular Mass	892.141
SMILES	CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1C(O)C(O)C(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C1O
InChI Key	ITLURQGVJQOFRY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	nucleoside and nucleotide analogues
Subclass	cyclopentyl nucleosides
Direct Parent	1,3-substituted cyclopentyl purine nucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alkyl fluorides alkylarylthioethers azacyclic compounds cyclitols and derivatives cyclopentanols cyclopentyl nucleosides dialkylthioethers heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organofluorides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine nucleosides purine ribonucleoside diphosphates purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alkylarylamines sulfenyl compounds tetrahydrofurans
Substituents	purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine aryl thioether saccharide purine ribonucleoside diphosphate organonitrogen compound organoheterocyclic compound alcohol sulfenyl compound azacycle purine nucleoside alkyl fluoride dialkylthioether heteroaromatic compound cyclitol or derivatives organic pyrophosphate secondary aliphatic/aromatic amine thioether monoalkyl phosphate hydrocarbon derivative primary amine amine pentose phosphate alkylarylthioether organosulfur compound organohalogen compound pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound alkyl halide imidolactam azole n-substituted imidazole tetrahydrofuran organofluoride cyclic alcohol secondary amine cyclopentanol oxacycle 1,3-substituted cyclopentyl purine nucleoside organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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