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

Submission ID: FVF
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.53
• Compound probability: 0.63

List of identified carbohydrate fragments:

• C₁₇H₁₉N₂O₆
  Fragment probability: 0.43
  Fragment mass: 333.2107
  Fragment main chain atoms: [20, 39, 30, 31, 25, 27, 32, 28, 41, 40, 26, 29]
  Fragment all atoms: [20, 67, 68, 24, 16, 17, 61, 62, 39, 30, 36, 31, 25, 70, 18, 63, 64, 22, 27, 33, 32, 28, 72, 21, 69, 1, 2, 42, 43, 44, 45, 46, 47, 41, 40, 26, 71, 19, 65, 66, 23, 29, 34, 35, 75]
  

• C₈H₁₂N₁O₃
  Fragment probability: 0.53
  Fragment mass: 223.16300000000004
  Fragment main chain atoms: [29, 26, 40, 41, 28, 21, 1]
  Fragment all atoms: [29, 34, 35, 75, 26, 71, 19, 65, 66, 23, 40, 41, 28, 72, 32, 21, 69, 2, 45, 46, 47, 1, 42, 43, 44]
  

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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