DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:52:16 UTC
Update Date	2025-03-21 18:03:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00043974
Frequency	77.1
Structure
Chemical Formula	C₁₆H₂₁F₃N₅O₆PS₂
Molecular Mass	531.0623
SMILES	CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC2COP(=O)(O)OC2C1O
InChI Key	IHCVDPXKHATOFT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	cyclic purine nucleotides
Direct Parent	3',5'-cyclic purine nucleotides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alkyl fluorides alkylarylthioethers azacyclic compounds dialkylthioethers heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-substituted imidazoles organic oxides organic phosphoric acids and derivatives organofluorides organopnictogen compounds oxacyclic compounds pentose phosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines sulfenyl compounds tetrahydrofurans
Substituents	pentose phosphate 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 n-substituted imidazole alcohol sulfenyl compound azacycle tetrahydrofuran alkyl fluoride organofluoride dialkylthioether heteroaromatic compound 3',5'-cyclic purine ribonucleotide secondary amine secondary aliphatic/aromatic amine oxacycle organic oxygen compound thioether secondary alcohol hydrocarbon derivative purine organic nitrogen compound organic phosphoric acid derivative organooxygen compound amine

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