DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:52 UTC
Update Date	2025-03-25 00:57:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02224156
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₈N₆O₆S
Molecular Mass	398.1009
SMILES	Nc1ncnc2c1ncn2C1OC(CSCC(NC=O)C(=O)O)C(O)C1O
InChI Key	GSVNSIOWMKAJGD-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 alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids cysteine and derivatives dialkylthioethers heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monocarboxylic acids and derivatives monosaccharides n-formyl-alpha amino acids n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides sulfenyl compounds tetrahydrofurans
Substituents	carbonyl group carboxylic acid amino acid or derivatives amino acid monosaccharide alpha-amino acid or derivatives imidazopyrimidine organosulfur compound carboxylic acid derivative pyrimidine saccharide organic oxide 5'-s-alkylthio-5'-deoxyribonucleoside aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound n-formyl-alpha amino acid or derivatives imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol sulfenyl compound azacycle tetrahydrofuran dialkylthioether heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives n-formyl-alpha-amino acid organic oxygen compound thioether cysteine or derivatives secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound amine organooxygen compound

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