DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:41:58 UTC
Update Date	2025-03-25 00:47:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160133
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₃N₃O₆S
Molecular Mass	303.0525
SMILES	Nc1ccn(C2OC(CSC(=O)O)C(O)C2O)c(=O)n1
InChI Key	HQIIEBWDTSDRMF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	5'-deoxyribonucleosides
Subclass	5'-deoxy-5'-thionucleosides
Direct Parent	5'-deoxy-5'-thionucleosides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,2-diols azacyclic compounds carbonyl compounds heteroaromatic compounds hydrocarbon derivatives imidolactams monosaccharides organic carbonic acids and derivatives organic oxides organic thiocarbonic acid derivatives organopnictogen compounds oxacyclic compounds primary amines pyrimidones secondary alcohols sulfenyl compounds tetrahydrofurans thiolactones
Substituents	carbonyl group aromatic heteromonocyclic compound thiocarbonic acid derivative monosaccharide pyrimidone organosulfur compound pyrimidine saccharide organic oxide organonitrogen compound organopnictogen compound imidolactam thiolactone organoheterocyclic compound 1,2-diol alcohol carbonic acid derivative sulfenyl compound azacycle tetrahydrofuran 5'-deoxy-5'-thionucleoside heteroaromatic compound oxacycle organic oxygen compound secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

Showing information for DMID02160133