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

Submission ID: LAK
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [22, 11, 9, 7, 6, 4, 20, 36, 45, 18, 34, 43, 32, 16, 41, 31, 15, 40]
  Fragment all atoms: [22, 11, 9, 7, 6, 4, 29, 2, 26, 27, 21, 20, 36, 45, 18, 34, 43, 32, 16, 41, 31, 15, 40]
  

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [5, 8, 10, 12, 23, 3, 14, 30, 39, 17, 33, 42, 19, 35, 44]
  Fragment all atoms: [5, 8, 10, 12, 37, 21, 23, 3, 28, 1, 24, 25, 13, 38, 14, 30, 39, 17, 33, 42, 19, 35, 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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