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

Submission ID: DSU
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.76

List of identified carbohydrate fragments:

• C₅H₈O₆
  Fragment probability: 1.00
  Fragment mass: 164.11310000000003
  Fragment main chain atoms: [18, 16, 17, 20, 32, 21, 28, 65, 73, 26, 63, 71, 27, 64, 72]
  Fragment all atoms: [18, 16, 17, 20, 67, 30, 32, 21, 68, 34, 28, 65, 73, 26, 63, 71, 27, 64, 72]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 162.14020000000002
  Fragment main chain atoms: [15, 19, 22, 33, 13]
  Fragment all atoms: [15, 62, 25, 70, 19, 66, 29, 74, 22, 12, 59, 60, 23, 69, 34, 33, 13, 61, 11, 57, 58, 31]
  

• C₄H₆O₂
  Fragment probability: 0.62
  Fragment mass: 85.08109999999999
  Fragment main chain atoms: [11, 31, 14]
  Fragment all atoms: [11, 57, 58, 31, 14, 10, 55, 56, 9, 53, 54, 24]
  

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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