DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:29 UTC
Update Date	2025-03-25 00:53:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02202354
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₄FN₅O₆S₂
Molecular Mass	477.1152
SMILES	CSCCNc1nc(SCCC(F)C(=O)O)nc2c1ncn2C1OC(CO)C(O)C1O
InChI Key	RVPSIGVXTZDPKJ-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	alkyl fluorides alkylarylthioethers alpha-halocarboxylic acids amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylthioethers fatty acyls halogenated fatty acids heteroaromatic compounds hydrocarbon derivatives hydroxy fatty acids imidazoles imidolactams monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organofluorides organopnictogen compounds oxacyclic compounds primary alcohols purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines sulfenyl compounds tetrahydrofurans thia fatty acids
Substituents	alpha-halocarboxylic acid or derivatives carboxylic acid amino acid or derivatives monosaccharide imidazopyrimidine alpha-halocarboxylic acid aryl thioether saccharide organonitrogen compound hydroxy fatty acid organoheterocyclic compound alcohol sulfenyl compound azacycle alkyl fluoride dialkylthioether purine nucleoside heteroaromatic compound secondary aliphatic/aromatic amine thioether hydrocarbon derivative amine fatty acyl carbonyl group amino acid alkylarylthioether organosulfur compound carboxylic acid derivative organohalogen compound pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound alkyl halide primary alcohol imidolactam azole n-substituted imidazole halogenated fatty acid 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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