DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:20 UTC
Update Date	2025-03-25 00:51:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02186091
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₈FN₅O₇S
Molecular Mass	431.0911
SMILES	Nc1ncnc2c1ncn2C1OC(CSCCC(F)(C(=O)O)C(=O)O)C(O)C1O
InChI Key	RLHAKDRWYIMCOV-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	1,2-diols alkyl fluorides alpha-halocarboxylic acids amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylthioethers dicarboxylic acids and derivatives fatty acyls halogenated fatty acids heteroaromatic compounds hydrocarbon derivatives hydroxy fatty acids imidazoles imidolactams monosaccharides n-substituted imidazoles organic oxides organofluorides organopnictogen compounds oxacyclic compounds primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols sulfenyl compounds tetrahydrofurans thia fatty acids
Substituents	alpha-halocarboxylic acid or derivatives carboxylic acid amino acid or derivatives monosaccharide imidazopyrimidine alpha-halocarboxylic acid saccharide organonitrogen compound hydroxy fatty acid organoheterocyclic compound 1,2-diol alcohol sulfenyl compound azacycle alkyl fluoride dialkylthioether heteroaromatic compound thioether dicarboxylic acid or derivatives hydrocarbon derivative primary amine amine fatty acyl carbonyl group amino acid organosulfur compound carboxylic acid derivative organohalogen compound pyrimidine organic oxide 5'-s-alkylthio-5'-deoxyribonucleoside aromatic heteropolycyclic compound imidazole organopnictogen compound alkyl halide imidolactam azole n-substituted imidazole halogenated fatty acid tetrahydrofuran organofluoride oxacycle thia fatty acid organic oxygen compound secondary alcohol purine organic nitrogen compound organooxygen compound

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