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

Submission ID: BCW
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: [22, 17, 14, 9, 43, 26, 36, 70, 88, 33, 67, 85]
  Fragment all atoms: [22, 75, 46, 17, 14, 9, 62, 4, 56, 57, 28, 81, 43, 26, 79, 45, 36, 70, 88, 33, 67, 85]
  

• C₆H₁₁O₅
  Fragment probability: 1.00
  Fragment mass: 163.14810000000003
  Fragment main chain atoms: [19, 16, 13, 7, 41, 25, 38, 72, 90, 35, 69, 87, 32, 66, 84]
  Fragment all atoms: [19, 16, 13, 7, 61, 2, 50, 51, 52, 41, 25, 78, 46, 38, 72, 90, 35, 69, 87, 32, 66, 84]
  

• C₈H₁₃N₁O₆
  Fragment probability: 1.00
  Fragment mass: 219.19140000000004
  Fragment main chain atoms: [10, 42, 23, 11, 21, 20, 8, 80, 3, 30, 27, 39, 76, 91]
  Fragment all atoms: [10, 63, 5, 58, 59, 29, 82, 42, 23, 11, 64, 21, 74, 45, 20, 73, 44, 8, 80, 3, 53, 54, 55, 30, 27, 39, 76, 91]
  

• C₆H₁₁O₅
  Fragment probability: 1.00
  Fragment mass: 163.14810000000006
  Fragment main chain atoms: [12, 15, 18, 24, 40, 6, 31, 65, 83, 34, 68, 86, 37, 71, 89]
  Fragment all atoms: [12, 15, 18, 24, 77, 44, 40, 6, 60, 1, 47, 48, 49, 31, 65, 83, 34, 68, 86, 37, 71, 89]
  

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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