DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 08:57:31 UTC
Update Date	2025-03-24 20:06:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01341533
Frequency	1.0
Structure
Chemical Formula	C₁₆H₂₉F₃N₅O₁₉P₅S₂
Molecular Mass	870.9538
SMILES	CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC(CO[PH](=O)O[PH](=O)(O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O
InChI Key	KLMMENFIFSNIAF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleosides
Subclass	purine nucleosides
Direct Parent	purine nucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols alkyl fluorides alkylarylthioethers azacyclic compounds dialkylthioethers heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-substituted imidazoles organic oxides organofluorides organopnictogen compounds oxacyclic compounds phosphate esters purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines sulfenyl compounds tetrahydrofurans
Substituents	monosaccharide 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 1,2-diol n-substituted imidazole alcohol sulfenyl compound azacycle tetrahydrofuran alkyl fluoride organofluoride dialkylthioether purine nucleoside heteroaromatic compound secondary amine secondary aliphatic/aromatic amine oxacycle organic oxygen compound phosphoric acid ester thioether secondary alcohol hydrocarbon derivative purine organic nitrogen compound organic phosphoric acid derivative organooxygen compound amine

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