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

Submission ID: QV4
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:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [22, 17, 15, 10, 50, 29, 82, 45, 105, 77, 40, 100, 75, 38, 98]
  Fragment all atoms: [22, 17, 15, 10, 70, 4, 62, 63, 34, 94, 50, 29, 89, 54, 82, 45, 105, 77, 40, 100, 75, 38, 98]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [24, 20, 26, 12, 52, 31, 47, 84, 107, 43, 80, 103]
  Fragment all atoms: [24, 20, 26, 86, 54, 12, 72, 6, 66, 67, 36, 96, 52, 31, 91, 55, 47, 84, 107, 43, 80, 103]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [23, 19, 27, 11, 51, 30, 46, 83, 106, 42, 79, 102]
  Fragment all atoms: [23, 19, 27, 87, 55, 11, 71, 5, 64, 65, 35, 95, 51, 30, 90, 53, 46, 83, 106, 42, 79, 102]
  

• C₆H₁₁N₁O₄
  Fragment probability: 1.00
  Fragment mass: 162.16330000000008
  Fragment main chain atoms: [49, 28, 21, 16, 13, 7, 48, 88, 108, 81, 44, 104, 76, 39, 99]
  Fragment all atoms: [49, 28, 21, 16, 13, 73, 32, 7, 68, 1, 56, 57, 58, 48, 88, 108, 81, 44, 104, 76, 39, 99]
  

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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