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

Submission ID: 37X
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: [24, 22, 20, 18, 39, 26, 81, 35, 91, 79, 33, 89, 31, 77, 87]
  Fragment all atoms: [24, 22, 20, 18, 75, 14, 68, 69, 29, 85, 39, 26, 83, 37, 81, 35, 91, 79, 33, 89, 31, 77, 87]
  

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [23, 21, 19, 17, 38, 25, 80, 34, 90, 78, 32, 88, 76, 30, 86]
  Fragment all atoms: [23, 21, 19, 17, 74, 13, 66, 67, 28, 84, 38, 25, 82, 36, 80, 34, 90, 78, 32, 88, 76, 30, 86]
  

• C₇H₁₂O₂
  Fragment probability: 0.57
  Fragment mass: 100.1155
  Fragment main chain atoms: [15, 27, 16]
  Fragment all atoms: [15, 70, 71, 36, 27, 11, 12, 62, 63, 9, 58, 59, 64, 65, 10, 60, 61, 16, 72, 73, 37]
  

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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