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

Submission ID: FA8
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.42

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [20, 21, 26, 50, 16]
  Fragment all atoms: [20, 75, 40, 85, 21, 76, 41, 86, 26, 77, 36, 50, 16, 72, 7, 66, 67, 49]
  

• C₆H₁₂O₆
  Fragment probability: 1.00
  Fragment mass: 306.1006
  Fragment main chain atoms: [7, 49, 53, 51, 52, 48, 6, 15, 19]
  Fragment all atoms: [7, 66, 67, 49, 53, 51, 52, 48, 6, 64, 65, 15, 71, 38, 83, 19, 74, 14, 70, 5, 62, 63, 37, 82, 39, 84]
  

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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