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

Submission ID: 3WY
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.48
• Compound probability: 0.54

List of identified carbohydrate fragments:

• C₁₁H₁₅N₂O₄
  Fragment probability: 0.48
  Fragment mass: 214.21789999999996
  Fragment main chain atoms: [37, 28, 41, 35, 26, 34, 52, 9]
  Fragment all atoms: [37, 49, 48, 115, 28, 106, 22, 99, 100, 27, 41, 35, 46, 26, 105, 5, 65, 66, 67, 34, 111, 29, 107, 18, 91, 92, 44, 52, 9, 77, 78, 79]
  

• C₉H₁₆N₁O₁
  Fragment probability: 0.47
  Fragment mass: 141.1673
  Fragment main chain atoms: [7, 43, 33, 30, 51, 8]
  Fragment all atoms: [7, 71, 72, 73, 43, 33, 110, 25, 104, 4, 10, 62, 63, 64, 80, 81, 30, 108, 23, 101, 102, 31, 51, 8, 74, 75, 76]
  

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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