DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:52 UTC
Update Date	2025-03-25 00:57:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02224151
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₀N₆O₅S
Molecular Mass	384.1216
SMILES	Nc1ncnc2c1ncn2C1OC(CSCCNC(=O)CO)C(O)C1O
InChI Key	FTBMITZOFHURDO-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	amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives dialkylthioethers heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides sulfenyl compounds tetrahydrofurans
Substituents	carbonyl group amino acid or derivatives monosaccharide imidazopyrimidine organosulfur compound carboxylic acid derivative pyrimidine saccharide organic oxide 5'-s-alkylthio-5'-deoxyribonucleoside aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol sulfenyl compound azacycle tetrahydrofuran dialkylthioether heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide organic oxygen compound thioether secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound amine organooxygen compound

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