DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:34:38 UTC
Update Date	2025-03-21 17:56:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00002946
Frequency	2074.1
Structure
Chemical Formula	C₁₃H₁₉N₃O₇S
Molecular Mass	361.0944
SMILES	NC(CCSCC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O)C(=O)O
InChI Key	SBZXQPDCTCMSSU-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 heteromonocyclic compounds
Alternative Parents	1,2-diols alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylthioethers fatty acyls heteroaromatic compounds hydrocarbon derivatives hydroxy fatty acids lactams monoalkylamines monocarboxylic acids and derivatives monosaccharides organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds pyrimidones secondary alcohols sulfenyl compounds tetrahydrofurans thia fatty acids vinylogous amides
Substituents	fatty acyl carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound monosaccharide pyrimidone alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative pyrimidine saccharide organic oxide 5'-s-alkylthio-5'-deoxyribonucleoside organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid organoheterocyclic compound 1,2-diol alcohol vinylogous amide carbonic acid derivative sulfenyl compound azacycle tetrahydrofuran dialkylthioether heteroaromatic compound oxacycle monocarboxylic acid or derivatives thia fatty acid organic oxygen compound thioether secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

Showing information for DMID00002946