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

Submission ID: JS6
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:

• C₆H₈N₂O₃
  Fragment probability: 1.00
  Fragment mass: 160.1706
  Fragment main chain atoms: [27, 16, 10, 15, 22, 29]
  Fragment all atoms: [27, 87, 51, 16, 76, 36, 10, 67, 68, 15, 75, 35, 22, 82, 42, 107, 29, 89, 53]
  

• C₆H₁₀N₁O₅
  Fragment probability: 1.00
  Fragment mass: 178.16270000000006
  Fragment main chain atoms: [21, 26, 24, 18, 49, 32, 46, 86, 111, 44, 84, 109]
  Fragment all atoms: [21, 81, 38, 26, 24, 18, 78, 12, 71, 72, 40, 105, 49, 32, 92, 51, 46, 86, 111, 44, 84, 109]
  

• C₅H₇O₅
  Fragment probability: 1.00
  Fragment mass: 147.10580000000002
  Fragment main chain atoms: [28, 19, 50, 33, 30]
  Fragment all atoms: [28, 88, 52, 19, 79, 13, 73, 74, 41, 106, 50, 33, 93, 53, 30, 90, 47]
  

• C₆H₉N₂O₄
  Fragment probability: 1.00
  Fragment mass: 177.17790000000005
  Fragment main chain atoms: [20, 25, 23, 17, 48, 31, 45, 85, 110, 43, 83, 108]
  Fragment all atoms: [20, 80, 37, 25, 23, 17, 77, 11, 69, 70, 34, 48, 31, 91, 52, 45, 85, 110, 43, 83, 108]
  

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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