DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:11:57 UTC
Update Date	2025-03-21 18:32:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00090660
Frequency	31.0
Structure
Chemical Formula	C₁₄H₂₀N₆O₅S
Molecular Mass	384.1216
SMILES	Nc1nc2c(ncn2C2CC(O)C(CSCCC(N)C(=O)O)O2)c(=O)[nH]1
InChI Key	GRPARYBWOXUNNR-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 amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylthioethers fatty acyls heteroaromatic compounds hydrocarbon derivatives hydroxy fatty acids hypoxanthines imidazoles lactams monoalkylamines monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds purines and purine derivatives pyrimidones secondary alcohols sulfenyl compounds tetrahydrofurans thia fatty acids vinylogous amides
Substituents	fatty acyl carbonyl group lactam carboxylic acid amino acid or derivatives amino acid 2',5'-dideoxyribonucleoside monosaccharide pyrimidone 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 organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide sulfenyl compound azacycle tetrahydrofuran dialkylthioether heteroaromatic compound oxacycle monocarboxylic acid or derivatives thia fatty acid organic oxygen compound thioether secondary alcohol hypoxanthine hydrocarbon derivative primary aliphatic amine primary amine purine organic nitrogen compound amine organooxygen compound

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