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

Submission ID: 2QM
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.45
• Compound probability: 0.52

List of identified carbohydrate fragments:

• C₁₀H₁₀N₂O₅
  Fragment probability: 0.45
  Fragment mass: 200.1485
  Fragment main chain atoms: [20, 17, 25, 22, 26, 18, 21]
  Fragment all atoms: [20, 29, 30, 56, 17, 50, 3, 38, 39, 1, 34, 35, 25, 22, 33, 26, 18, 51, 13, 7, 6, 43, 42, 21, 32, 31, 57]
  

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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