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

Submission ID: 11B
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.43
• Compound probability: 0.57

List of identified carbohydrate fragments:

• C₁₃H₁₃N₁O₅
  Fragment probability: 0.43
  Fragment mass: 262.13300000000004
  Fragment main chain atoms: [15, 33, 23, 27, 19, 35, 34, 20, 21]
  Fragment all atoms: [15, 56, 57, 16, 9, 10, 49, 50, 33, 23, 30, 27, 19, 58, 13, 53, 54, 5, 44, 45, 35, 34, 20, 59, 17, 11, 14, 51, 55, 21, 28, 29, 65]
  

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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