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

Submission ID: 6UZ
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.79

List of identified carbohydrate fragments:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [19, 17, 16, 14, 32, 23, 65, 29, 75, 27, 63, 73, 62, 26, 72]
  Fragment all atoms: [19, 17, 16, 14, 60, 12, 56, 57, 24, 70, 32, 23, 69, 34, 65, 29, 75, 27, 63, 73, 62, 26, 72]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [20, 18, 21, 15, 33, 22, 66, 30, 76, 64, 28, 74]
  Fragment all atoms: [20, 18, 21, 67, 34, 15, 61, 13, 58, 59, 25, 71, 33, 22, 68, 31, 66, 30, 76, 64, 28, 74]
  

• C₄H₇
  Fragment probability: 0.44
  Fragment mass: 41.0716
  Fragment main chain atoms: [1, 2]
  Fragment all atoms: [1, 35, 36, 2, 37, 3, 38, 39, 4, 40, 41]
  

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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