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

Submission ID: LA4
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: [16, 24, 42, 7, 11, 19, 65, 36, 85, 31, 60, 80]
  Fragment all atoms: [16, 24, 73, 45, 42, 7, 56, 3, 50, 51, 27, 76, 11, 19, 68, 44, 65, 36, 85, 31, 60, 80]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [17, 23, 41, 8, 12, 20, 66, 37, 86, 32, 61, 81]
  Fragment all atoms: [17, 23, 72, 43, 41, 8, 57, 4, 52, 53, 28, 77, 12, 20, 69, 45, 66, 37, 86, 32, 61, 81]
  

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [15, 21, 39, 6, 10, 18, 64, 35, 84, 70, 38, 87, 30, 59, 79]
  Fragment all atoms: [15, 21, 39, 6, 55, 2, 48, 49, 26, 75, 10, 18, 67, 43, 64, 35, 84, 70, 38, 87, 30, 59, 79]
  

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [9, 13, 14, 22, 40, 5, 29, 58, 78, 33, 62, 82, 63, 34, 83]
  Fragment all atoms: [9, 13, 14, 22, 71, 44, 40, 5, 54, 1, 46, 47, 25, 74, 29, 58, 78, 33, 62, 82, 63, 34, 83]
  

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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