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

Submission ID: JS4
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.86

List of identified carbohydrate fragments:

• C₆H₈N₂O₃
  Fragment probability: 1.00
  Fragment mass: 160.1706
  Fragment main chain atoms: [22, 11, 6, 10, 17, 24]
  Fragment all atoms: [22, 80, 47, 11, 69, 32, 6, 60, 61, 10, 68, 31, 17, 75, 38, 102, 24, 82, 49]
  

• C₆H₁₀N₁O₅
  Fragment probability: 1.00
  Fragment mass: 178.16270000000006
  Fragment main chain atoms: [16, 21, 19, 13, 45, 27, 42, 79, 106, 40, 77, 104]
  Fragment all atoms: [16, 74, 34, 21, 19, 13, 71, 8, 64, 65, 36, 100, 45, 27, 85, 47, 42, 79, 106, 40, 77, 104]
  

• C₅H₇O₅
  Fragment probability: 1.00
  Fragment mass: 147.10580000000002
  Fragment main chain atoms: [23, 14, 46, 28, 25]
  Fragment all atoms: [23, 81, 48, 14, 72, 9, 66, 67, 37, 101, 46, 28, 86, 49, 25, 83, 43]
  

• C₆H₉N₂O₄
  Fragment probability: 1.00
  Fragment mass: 177.17790000000005
  Fragment main chain atoms: [15, 20, 18, 12, 44, 26, 41, 78, 105, 39, 76, 103]
  Fragment all atoms: [15, 73, 33, 20, 18, 12, 70, 7, 62, 63, 30, 44, 26, 84, 48, 41, 78, 105, 39, 76, 103]
  

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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