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

Submission ID: 8O5
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.39
• Compound probability: 0.44

List of identified carbohydrate fragments:

• C₁₀H₁₀N₃O₄
  Fragment probability: 0.39
  Fragment mass: 195.19480000000004
  Fragment main chain atoms: [30, 27, 24, 34, 29, 25, 33, 26]
  Fragment all atoms: [30, 39, 32, 27, 70, 36, 75, 24, 68, 18, 62, 63, 23, 67, 34, 29, 38, 25, 69, 17, 60, 61, 21, 66, 33, 26, 35]
  

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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