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

Submission ID: 7WU
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.59

List of identified carbohydrate fragments:

• C₁₅H₁₆O₅
  Fragment probability: 1.00
  Fragment mass: 207.15930000000003
  Fragment main chain atoms: [17, 19, 34, 26, 20, 24]
  Fragment all atoms: [17, 66, 25, 6, 13, 18, 50, 51, 52, 64, 67, 19, 30, 34, 26, 7, 21, 53, 54, 55, 32, 33, 20, 31, 24, 5, 12, 47, 48, 49, 1, 11, 35, 36, 37, 63]
  

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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