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

Submission ID: 4YA
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.79

List of identified carbohydrate fragments:

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [16, 14, 12, 10, 27, 18, 52, 23, 61, 50, 21, 59]
  Fragment all atoms: [16, 54, 28, 14, 12, 10, 48, 8, 45, 46, 19, 57, 27, 18, 56, 25, 52, 23, 61, 50, 21, 59]
  

• C₆H₁₁O₅
  Fragment probability: 1.00
  Fragment mass: 163.14810000000003
  Fragment main chain atoms: [15, 13, 11, 9, 26, 17, 24, 53, 62, 22, 51, 60, 49, 20, 58]
  Fragment all atoms: [15, 13, 11, 9, 47, 2, 32, 33, 34, 26, 17, 55, 28, 24, 53, 62, 22, 51, 60, 49, 20, 58]
  

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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