DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:41:23 UTC
Update Date	2025-03-21 17:59:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00018383
Frequency	225.3
Structure
Chemical Formula	C₁₃H₁₈N₆O₄S
Molecular Mass	354.111
SMILES	NC(=O)CCSCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChI Key	CWFIEQWBZWVQSC-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 amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives dialkylthioethers heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary amines primary carboxylic acid amides purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols sulfenyl compounds tetrahydrofurans
Substituents	primary carboxylic acid amide carbonyl group amino acid or derivatives monosaccharide imidazopyrimidine organosulfur compound carboxylic acid derivative pyrimidine saccharide organic oxide 5'-s-alkylthio-5'-deoxyribonucleoside aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol sulfenyl compound azacycle tetrahydrofuran dialkylthioether heteroaromatic compound carboxamide group oxacycle organic oxygen compound thioether secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound amine organooxygen compound

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