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

Submission ID: 3SA
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.67

List of identified carbohydrate fragments:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [14, 15, 18, 32, 8, 17, 27, 50, 63, 28, 51, 64, 30, 54, 66]
  Fragment all atoms: [14, 15, 18, 32, 8, 44, 4, 40, 41, 22, 58, 17, 53, 33, 27, 50, 63, 28, 51, 64, 30, 54, 66]
  

• C₆H₁₀N₁O₄
  Fragment probability: 1.00
  Fragment mass: 161.15540000000007
  Fragment main chain atoms: [31, 19, 16, 12, 9, 5, 29, 52, 65, 25, 48, 61]
  Fragment all atoms: [31, 19, 55, 33, 16, 12, 9, 45, 20, 5, 42, 1, 34, 35, 36, 29, 52, 65, 25, 48, 61]
  

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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