DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:10 UTC
Update Date	2025-03-25 00:54:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02206171
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₇F₃N₆O₆S₂
Molecular Mass	556.1386
SMILES	NC(CCSCC1OC(n2cnc3c(NCCO)nc(SCCC(F)(F)F)nc32)C(O)C1O)C(=O)O
InChI Key	FNXKCBCWEXURSJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	5'-deoxyribonucleosides
Subclass	5'-deoxy-5'-thionucleosides
Direct Parent	5'-s-alkylthio-5'-deoxyribonucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alkanolamines alkyl fluorides alkylarylthioethers alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylthioethers fatty acyls heteroaromatic compounds hydrocarbon derivatives hydroxy fatty acids imidazoles imidolactams monoalkylamines monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organofluorides organopnictogen compounds oxacyclic compounds purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines sulfenyl compounds tetrahydrofurans thia fatty acids
Substituents	carboxylic acid amino acid or derivatives monosaccharide alpha-amino acid or derivatives imidazopyrimidine aryl thioether saccharide organonitrogen compound alpha-amino acid hydroxy fatty acid organoheterocyclic compound alcohol sulfenyl compound azacycle alkyl fluoride dialkylthioether heteroaromatic compound secondary aliphatic/aromatic amine thioether hydrocarbon derivative primary aliphatic amine amine fatty acyl carbonyl group amino acid alkylarylthioether organosulfur compound carboxylic acid derivative organohalogen compound pyrimidine organic oxide 5'-s-alkylthio-5'-deoxyribonucleoside aromatic heteropolycyclic compound imidazole organopnictogen compound alkyl halide imidolactam alkanolamine azole n-substituted imidazole tetrahydrofuran organofluoride secondary amine oxacycle monocarboxylic acid or derivatives thia fatty acid organic oxygen compound secondary alcohol purine organic nitrogen compound organooxygen compound

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