DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:01:39 UTC
Update Date	2025-03-21 18:06:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00066085
Frequency	46.2
Structure
Chemical Formula	C₉H₁₃N₃O₄S
Molecular Mass	259.0627
SMILES	Nc1ccn(C2OC(CS)C(O)C2O)c(=O)n1
InChI Key	LMULFPPBCLUSKT-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 alkylthiols azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidolactams monosaccharides organic carbonic acids and derivatives organic oxides organopnictogen compounds organosulfur compounds oxacyclic compounds primary amines pyrimidones secondary alcohols tetrahydrofurans
Substituents	aromatic heteromonocyclic compound monosaccharide pyrimidone organosulfur compound pyrimidine saccharide organic oxide organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound 1,2-diol alcohol carbonic acid derivative azacycle tetrahydrofuran 5'-deoxy-5'-thionucleoside heteroaromatic compound oxacycle organic oxygen compound secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound amine alkylthiol organooxygen compound

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