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

Submission ID: BGA
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.82

List of identified carbohydrate fragments:

• C₆H₉O₆
  Fragment probability: 1.00
  Fragment mass: 177.13170000000002
  Fragment main chain atoms: [25, 24, 20, 16, 42, 28, 35, 78, 92]
  Fragment all atoms: [25, 83, 44, 24, 82, 43, 20, 16, 74, 12, 70, 71, 31, 89, 42, 28, 86, 39, 35, 78, 92]
  

• C₈H₁₄N₁O₆
  Fragment probability: 1.00
  Fragment mass: 220.19930000000002
  Fragment main chain atoms: [17, 21, 19, 15, 41, 26, 14, 87, 3, 32, 29, 36, 79, 93, 34, 77, 91]
  Fragment all atoms: [17, 75, 21, 19, 15, 73, 11, 68, 69, 30, 88, 41, 26, 84, 43, 14, 87, 3, 51, 52, 53, 32, 29, 36, 79, 93, 34, 77, 91]
  

• C₆H₁₁O₅
  Fragment probability: 1.00
  Fragment mass: 163.14810000000003
  Fragment main chain atoms: [23, 22, 18, 13, 40, 27, 38, 81, 95, 37, 80, 94, 33, 76, 90]
  Fragment all atoms: [23, 22, 18, 13, 72, 2, 48, 49, 50, 40, 27, 85, 44, 38, 81, 95, 37, 80, 94, 33, 76, 90]
  

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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