DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:48:22 UTC
Update Date	2025-03-21 18:01:46 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00034614
Frequency	103.8
Structure
Chemical Formula	C₁₄H₂₀N₆O₅S₂
Molecular Mass	416.0937
SMILES	Nc1ncnc2c1ncn2C1OC(CSSCCC(N)C(=O)O)C(O)C1O
InChI Key	WQZTVBMNXBWDBO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	5'-deoxyribonucleosides
Subclass	5'-deoxy-5'-thionucleosides
Direct Parent	5'-deoxy-5'-thionucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkyldisulfides fatty acyls heteroaromatic compounds hydrocarbon derivatives hydroxy fatty acids imidazoles imidolactams monoalkylamines monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols sulfenyl compounds 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 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 sulfenyl compound azacycle tetrahydrofuran 5'-deoxy-5'-thionucleoside heteroaromatic compound oxacycle dialkyldisulfide monocarboxylic acid or derivatives thia fatty acid organic oxygen compound organic disulfide secondary alcohol hydrocarbon derivative primary aliphatic amine primary amine purine organic nitrogen compound amine organooxygen compound

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