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

Submission ID: BD5
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.35
• Compound probability: 0.57

List of identified carbohydrate fragments:

• C₁₇H₁₄N₃O₆
  Fragment probability: 0.35
  Fragment mass: 297.26339999999993
  Fragment main chain atoms: [22, 46, 35, 38, 30, 33, 36, 29, 32, 37, 31, 34]
  Fragment all atoms: [22, 71, 72, 26, 9, 10, 55, 56, 46, 35, 45, 38, 30, 74, 20, 67, 68, 24, 33, 42, 36, 29, 73, 19, 65, 66, 23, 32, 41, 37, 31, 75, 21, 69, 70, 25, 34, 43, 44, 81]
  

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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