DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 09:37:24 UTC
Update Date	2025-03-24 20:24:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01436702
Frequency	0.9
Structure
Chemical Formula	C₂₇H₄₀F₃N₁₀O₂₂P₅S₂
Molecular Mass	1132.04
SMILES	CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1C(O)C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C1O
InChI Key	DZFDHBBPOLIJNT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	nucleoside and nucleotide analogues
Subclass	cyclopentyl nucleosides
Direct Parent	cyclopentyl nucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,3-substituted cyclopentyl purine nucleosides alkyl fluorides alkylarylthioethers azacyclic compounds cyclitols and derivatives cyclopentanols dialkylthioethers heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organofluorides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine nucleosides 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 organonitrogen compound organoheterocyclic compound cyclopentyl nucleoside alcohol sulfenyl compound azacycle purine nucleoside alkyl fluoride dialkylthioether heteroaromatic compound cyclitol or derivatives 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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