DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:14 UTC
Update Date	2025-03-25 00:47:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160689
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₀N₆O₈S₂
Molecular Mass	464.0784
SMILES	Nc1ncnc2c1ncn2C1OC(CSCCC(NS(=O)(=O)O)C(=O)O)C(O)C1O
InChI Key	PFRYHACNFQDSKC-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 fatty acyls heteroaromatic compounds hydrocarbon derivatives hydroxy fatty acids imidazoles imidolactams monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols sulfenyl compounds sulfuric acid monoamides tetrahydrofurans thia fatty acids
Substituents	fatty acyl 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 hydroxy fatty acid imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol organic sulfuric acid or derivatives sulfenyl compound azacycle tetrahydrofuran dialkylthioether heteroaromatic compound oxacycle monocarboxylic acid or derivatives thia fatty acid organic oxygen compound thioether sulfuric acid monoamide secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound amine organooxygen compound

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