DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:36:45 UTC
Update Date	2025-03-21 17:57:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00007883
Frequency	629.8
Structure
Chemical Formula	C₁₃H₂₀N₄O₆S
Molecular Mass	360.1104
SMILES	Nc1ccn(C2OC(CSCCC(N)C(=O)O)C(O)C2O)c(=O)n1
InChI Key	MEHMAAUYJGPTPO-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 amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylthioethers fatty acyls heteroaromatic compounds hydrocarbon derivatives hydroxy fatty acids imidolactams monoalkylamines monocarboxylic acids and derivatives monosaccharides organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds pyrimidones secondary alcohols sulfenyl compounds tetrahydrofurans thia fatty acids
Substituents	fatty acyl carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid 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 imidolactam organoheterocyclic compound 1,2-diol alcohol 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 primary amine organic nitrogen compound amine organooxygen compound

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