DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:18 UTC
Update Date	2025-03-25 00:50:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02179196
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₂N₆O₆S
Molecular Mass	414.1322
SMILES	CSc1nc(NC(=O)C(N)C(C)O)c2ncn(C3OC(CO)C(O)C3O)c2n1
InChI Key	HTRWGVVFFKAIIL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleosides
Subclass	purine nucleosides
Direct Parent	purine nucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alkylarylthioethers alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids and derivatives fatty amides heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkylamines monosaccharides n-arylamides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary alcohols purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides sulfenyl compounds tetrahydrofurans
Substituents	fatty acyl carbonyl group fatty amide monosaccharide n-arylamide alpha-amino acid or derivatives imidazopyrimidine alkylarylthioether organosulfur compound carboxylic acid derivative aryl thioether pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol sulfenyl compound alpha-amino acid amide azacycle tetrahydrofuran purine nucleoside heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide organic oxygen compound thioether secondary alcohol hydrocarbon derivative primary aliphatic amine purine organic nitrogen compound organooxygen compound

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