DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:45 UTC
Update Date	2025-03-25 00:46:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02152871
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₃N₇O₆S
Molecular Mass	441.1431
SMILES	NC(=O)NC(CCCSCC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C(=O)O
InChI Key	FHPGLNWTYTXDLU-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 dialkylthioethers heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monocarboxylic acids and derivatives monosaccharides n-carbamoyl-alpha amino acids n-substituted imidazoles organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols 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 n-carbamoyl-alpha-amino acid or derivatives organonitrogen compound alpha-amino acid organopnictogen compound imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol carbonic acid derivative sulfenyl compound azacycle tetrahydrofuran dialkylthioether n-carbamoyl-alpha-amino acid heteroaromatic compound oxacycle monocarboxylic acid or derivatives organic oxygen compound thioether secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound amine organooxygen compound

Showing information for DMID02152871