DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:32 UTC
Update Date	2025-03-25 01:00:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02241328
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₆N₆O₉S
Molecular Mass	502.1482
SMILES	CC(=O)NC1C(SCC2OC(n3cnc4c(=O)[nH]c(N)nc43)C(O)C2O)OC(CO)C(O)C1O
InChI Key	UUAOLZXUAOULJJ-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	acetamides amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles lactams monosaccharides monothioacetals n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds oxanes primary alcohols primary amines purines and purine derivatives pyrimidones secondary alcohols secondary carboxylic acid amides sulfenyl compounds tetrahydrofurans vinylogous amides
Substituents	carbonyl group lactam amino acid or derivatives monosaccharide pyrimidone imidazopyrimidine organosulfur compound carboxylic acid derivative pyrimidine monothioacetal saccharide organic oxide 5'-s-alkylthio-5'-deoxyribonucleoside aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide azole n-substituted imidazole alcohol vinylogous amide sulfenyl compound azacycle tetrahydrofuran heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide organic oxygen compound secondary alcohol hypoxanthine hydrocarbon derivative primary amine purine organic nitrogen compound amine organooxygen compound

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