DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:14:28 UTC
Update Date	2025-03-21 18:33:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00096751
Frequency	28.6
Structure
Chemical Formula	C₁₈H₂₄F₃N₇O₇S
Molecular Mass	539.141
SMILES	CC(O)C(NC(N)=O)C(=O)Nc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC(CO)C(O)C1O
InChI Key	SKKKMBUSJRKXMK-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 amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids and derivatives fatty amides heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-arylamides n-carbamoyl-alpha amino acids n-substituted imidazoles organic carbonic acids and derivatives organic oxides organofluorides organopnictogen compounds oxacyclic compounds primary alcohols purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides sulfenyl compounds tetrahydrofurans
Substituents	monosaccharide alpha-amino acid or derivatives imidazopyrimidine aryl thioether saccharide n-carbamoyl-alpha-amino acid or derivatives organonitrogen compound alpha-amino acid organoheterocyclic compound alcohol sulfenyl compound alpha-amino acid amide azacycle alkyl fluoride purine nucleoside heteroaromatic compound n-substituted-alpha-amino acid secondary carboxylic acid amide thioether hydrocarbon derivative fatty acyl carbonyl group fatty amide n-arylamide 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 carbonic acid derivative tetrahydrofuran organofluoride n-carbamoyl-alpha-amino acid carboxamide group oxacycle organic oxygen compound secondary alcohol purine organic nitrogen compound organooxygen compound

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