• Example saccharides
• Example non-saccharides
• RCSB Ligand Expo entries
• Saccharide entries in Ligand Expo
• Saccharide fingerprints

Submission ID: MYE
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.39
• Compound probability: 0.70

List of identified carbohydrate fragments:

• C₁₃H₁₄N₂O₄
  Fragment probability: 0.39
  Fragment mass: 211.19420000000002
  Fragment main chain atoms: [12, 17, 22, 19, 18, 23, 20, 27, 13]
  Fragment all atoms: [12, 49, 24, 17, 53, 6, 41, 42, 5, 39, 40, 22, 19, 25, 18, 54, 11, 47, 48, 14, 52, 23, 20, 26, 27, 13, 50, 51, 15, 7, 8, 43, 44]
  

Most similar ligands:

Citation:

• Hesam Dashti, William M. Westler, Jonathan R. Wedell, Olga V. Demler, Hamid R. Eghbalnia, John L. Markley & Samia Mora, Probabilistic identification of saccharide moieties in biomolecules and their protein complexes, Scientific Data volume 7, Article number: 210 (2020), https://doi.org/10.1038/s41597-020-0547-y, https://www.nature.com/articles/s41597-020-0547-y

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