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

Submission ID: RAF
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:

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [32, 17, 14, 12, 9, 7, 28, 52, 65, 26, 50, 63, 23, 47, 60]
  Fragment all atoms: [32, 17, 55, 34, 14, 12, 9, 7, 45, 3, 39, 40, 30, 28, 52, 65, 26, 50, 63, 23, 47, 60]
  

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [8, 11, 13, 16, 31, 5, 22, 46, 59, 25, 49, 62, 27, 51, 64]
  Fragment all atoms: [8, 11, 13, 16, 54, 30, 31, 5, 43, 1, 35, 36, 19, 56, 22, 46, 59, 25, 49, 62, 27, 51, 64]
  

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 163.14810000000003
  Fragment main chain atoms: [15, 10, 6, 33, 18]
  Fragment all atoms: [15, 53, 29, 66, 10, 48, 24, 61, 6, 44, 2, 37, 38, 20, 57, 33, 18, 4, 41, 42, 21, 58, 34]
  

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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