DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:13:44 UTC
Update Date	2025-03-21 18:33:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00094952
Frequency	29.2
Structure
Chemical Formula	C₁₃H₁₈N₆O₄S
Molecular Mass	354.111
SMILES	Nc1ncnc2c1ncn2C1CC(O)C(CSCC(N)C(=O)O)O1
InChI Key	YRBBJPROCAOGHP-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 cysteine and derivatives dialkylthioethers heteroaromatic compounds hydrocarbon derivatives 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
Substituents	carbonyl group carboxylic acid amino acid or derivatives amino acid 2',5'-dideoxyribonucleoside 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 imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol sulfenyl compound azacycle tetrahydrofuran dialkylthioether heteroaromatic compound oxacycle monocarboxylic acid or derivatives organic oxygen compound thioether cysteine or derivatives secondary alcohol hydrocarbon derivative primary aliphatic amine primary amine purine organic nitrogen compound amine organooxygen compound

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