DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:50:54 UTC
Update Date	2025-03-21 18:02:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00040655
Frequency	84.9
Structure
Chemical Formula	C₁₄H₁₇N₅O₆S
Molecular Mass	383.09
SMILES	Nc1ncnc2c1ncn2C1OC(CSCCC(=O)C(=O)O)C(O)C1O
InChI Key	MXUWKYXWQUEGBX-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 alpha-hydroxy ketones alpha-keto acids and derivatives amino acids azacyclic compounds carboxylic acids dialkylthioethers fatty acyls heteroaromatic compounds hydrocarbon derivatives hydroxy fatty acids imidazoles imidolactams monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols sulfenyl compounds tetrahydrofurans thia fatty acids
Substituents	fatty acyl carbonyl group carboxylic acid amino acid or derivatives amino acid monosaccharide imidazopyrimidine organosulfur compound alpha-hydroxy ketone carboxylic acid derivative pyrimidine ketone saccharide organic oxide 5'-s-alkylthio-5'-deoxyribonucleoside aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-keto acid organopnictogen compound hydroxy fatty acid imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol sulfenyl compound azacycle tetrahydrofuran dialkylthioether heteroaromatic compound oxacycle monocarboxylic acid or derivatives thia fatty acid organic oxygen compound thioether keto acid secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound amine organooxygen compound

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