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

Submission ID: AUO
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.61

List of identified carbohydrate fragments:

• C₆H₉O₆
  Fragment probability: 1.00
  Fragment mass: 177.13170000000002
  Fragment main chain atoms: [30, 29, 24, 19, 53, 33, 44, 96, 111]
  Fragment all atoms: [30, 102, 55, 29, 101, 54, 24, 19, 91, 14, 85, 86, 41, 108, 53, 33, 105, 56, 44, 96, 111]
  

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [27, 25, 22, 17, 51, 31, 99, 47, 114, 97, 45, 112, 42, 94, 109]
  Fragment all atoms: [27, 25, 22, 17, 89, 12, 81, 82, 39, 106, 51, 31, 103, 54, 99, 47, 114, 97, 45, 112, 42, 94, 109]
  

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [28, 26, 23, 18, 52, 32, 48, 100, 115, 46, 98, 113, 95, 43, 110]
  Fragment all atoms: [28, 26, 23, 18, 90, 13, 83, 84, 40, 107, 52, 32, 104, 55, 48, 100, 115, 46, 98, 113, 95, 43, 110]
  

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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