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

Submission ID: XD3
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:

• C₆H₁₁O₅
  Fragment probability: 1.00
  Fragment mass: 163.14810000000003
  Fragment main chain atoms: [3, 6, 11, 9, 20, 10, 29, 15, 38, 34, 16, 39]
  Fragment all atoms: [3, 23, 24, 6, 11, 9, 32, 5, 27, 28, 14, 37, 20, 10, 33, 19, 29, 15, 38, 34, 16, 39]
  

• C₆H₉O₄
  Fragment probability: 1.00
  Fragment mass: 145.13290000000003
  Fragment main chain atoms: [2, 18, 8, 12, 7, 1, 35, 17, 40]
  Fragment all atoms: [2, 22, 18, 8, 31, 4, 25, 26, 13, 36, 12, 7, 30, 19, 1, 21, 35, 17, 40]
  

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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