DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:13:24 UTC
Update Date	2025-03-25 00:37:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02093812
Frequency	0.6
Structure
Chemical Formula	C₁₉H₃₀Cl₂F₃N₅O₁₆P₄S₂
Molecular Mass	898.9409
SMILES	CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1C(O)C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)C(O)C1O
InChI Key	OVMYYKUPCVOSCE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	imidazopyrimidines
Subclass	purines and purine derivatives
Direct Parent	purines and purine derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alkyl chlorides alkyl fluorides alkylarylthioethers azacyclic compounds bisphosphonates cyclitols and derivatives cyclohexanols dialkylthioethers heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates n-substituted imidazoles organic oxides organochlorides organofluorides organophosphorus compounds organopnictogen compounds pyrimidines and pyrimidine derivatives secondary alkylarylamines sulfenyl compounds
Substituents	alkyl chloride organochloride alkylarylthioether organosulfur compound organohalogen compound aryl thioether pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organophosphorus compound alkyl halide imidolactam organophosphonic acid derivative azole n-substituted imidazole alcohol bisphosphonate sulfenyl compound azacycle alkyl fluoride organofluoride dialkylthioether heteroaromatic compound cyclohexanol cyclitol or derivatives cyclic alcohol secondary amine secondary aliphatic/aromatic amine organic oxygen compound phosphoric acid ester thioether monoalkyl phosphate secondary alcohol hydrocarbon derivative purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound amine

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