DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:27 UTC
Update Date	2025-03-25 00:45:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02152167
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₉N₅O₆S
Molecular Mass	385.1056
SMILES	NC(CCSCC1OC(n2cnc3c(=O)[nH]c(=O)[nH]c32)CC1O)C(=O)O
InChI Key	ZLUJTCHADKHPLK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	2',5'-dideoxyribonucleosides
Subclass	2',5'-dideoxyribonucleosides
Direct Parent	2',5'-dideoxyribonucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylthioethers fatty acyls heteroaromatic compounds hydrocarbon derivatives hydroxy fatty acids imidazoles lactams monoalkylamines monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds purinones pyrimidones secondary alcohols sulfenyl compounds tetrahydrofurans thia fatty acids vinylogous amides
Substituents	fatty acyl carbonyl group lactam carboxylic acid 2',5'-dideoxyribonucleoside monosaccharide pyrimidone alpha-amino acid or derivatives imidazopyrimidine organosulfur compound carboxylic acid derivative purinone pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide carbonic acid derivative sulfenyl compound azacycle tetrahydrofuran dialkylthioether heteroaromatic compound oxacycle monocarboxylic acid or derivatives thia fatty acid organic oxygen compound thioether secondary alcohol hydrocarbon derivative purine primary aliphatic amine organic nitrogen compound organooxygen compound

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