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

Submission ID: ODN
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.96

List of identified carbohydrate fragments:

• C₁₆H₁₉O₆
  Fragment probability: 1.00
  Fragment mass: 191.2028
  Fragment main chain atoms: [11, 18, 8, 26, 20, 19]
  Fragment all atoms: [11, 48, 5, 38, 39, 4, 36, 37, 18, 12, 13, 49, 6, 40, 41, 21, 53, 50, 17, 16, 52, 8, 44, 45, 26, 20, 24, 55, 25, 56, 19, 14, 15, 9, 46, 22, 51, 10, 47, 23, 54]
  

• C₁₆H₂₂O₄
  Fragment probability: 1.00
  Fragment mass: 164.1577
  Fragment main chain atoms: [16, 13, 18, 8, 26, 20, 52, 24, 55]
  Fragment all atoms: [16, 13, 50, 17, 2, 3, 7, 30, 31, 32, 33, 34, 35, 42, 43, 18, 11, 12, 48, 5, 19, 38, 39, 49, 6, 40, 41, 21, 53, 8, 44, 45, 26, 20, 14, 15, 51, 25, 56, 52, 24, 55]
  

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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