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

Submission ID: CEX
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [8, 51, 29, 20, 14, 23, 45, 81, 106, 39, 75, 100]
  Fragment all atoms: [8, 69, 3, 61, 62, 33, 94, 51, 29, 90, 56, 20, 14, 23, 84, 54, 45, 81, 106, 39, 75, 100]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [10, 52, 30, 21, 16, 25, 46, 82, 107, 41, 77, 102]
  Fragment all atoms: [10, 71, 5, 65, 66, 35, 96, 52, 30, 91, 55, 21, 16, 25, 86, 56, 46, 82, 107, 41, 77, 102]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [9, 50, 28, 19, 15, 24, 44, 80, 105, 40, 76, 101]
  Fragment all atoms: [9, 70, 4, 63, 64, 34, 95, 50, 28, 89, 53, 19, 15, 24, 85, 55, 44, 80, 105, 40, 76, 101]
  

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [7, 48, 26, 17, 13, 22, 47, 87, 108, 42, 78, 103, 38, 74, 99]
  Fragment all atoms: [7, 68, 2, 59, 60, 32, 93, 48, 26, 17, 13, 22, 83, 53, 47, 87, 108, 42, 78, 103, 38, 74, 99]
  

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [11, 12, 18, 27, 49, 6, 72, 36, 97, 37, 73, 98, 43, 79, 104]
  Fragment all atoms: [11, 12, 18, 27, 88, 54, 49, 6, 67, 1, 57, 58, 31, 92, 72, 36, 97, 37, 73, 98, 43, 79, 104]
  

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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