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

Submission ID: 9SK
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.44

List of identified carbohydrate fragments:

• C₆H₁₀N₁O₄
  Fragment probability: 1.00
  Fragment mass: 160.14750000000004
  Fragment main chain atoms: [25, 22, 23, 18, 48, 29, 43, 68, 77, 41, 66, 75]
  Fragment all atoms: [25, 22, 65, 38, 23, 18, 63, 7, 57, 58, 39, 73, 48, 29, 71, 43, 68, 77, 41, 66, 75]
  

• C₆H₁₀O₅
  Fragment probability: 1.00
  Fragment mass: 162.14020000000005
  Fragment main chain atoms: [24, 19, 49, 30, 26, 27, 42, 67, 76, 44, 69, 78]
  Fragment all atoms: [24, 19, 64, 8, 59, 60, 40, 74, 49, 30, 72, 26, 27, 70, 46, 42, 67, 76, 44, 69, 78]
  

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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