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

Submission ID: 076
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.48
• Compound probability: 0.45

List of identified carbohydrate fragments:

• C₁₁H₁₅N₂O₄
  Fragment probability: 0.48
  Fragment mass: 211.1942
  Fragment main chain atoms: [20, 27, 33, 28, 31, 32, 25, 29]
  Fragment all atoms: [20, 64, 65, 37, 27, 34, 33, 28, 69, 21, 66, 2, 1, 42, 43, 44, 39, 40, 41, 31, 36, 32, 25, 67, 18, 60, 61, 22, 29, 70, 35, 74]
  

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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