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

Submission ID: 9P8
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.72

List of identified carbohydrate fragments:

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [22, 24, 18, 15, 45, 27, 41, 72, 87, 37, 68, 83]
  Fragment all atoms: [22, 24, 74, 47, 18, 15, 65, 8, 57, 58, 34, 80, 45, 27, 77, 46, 41, 72, 87, 37, 68, 83]
  

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [20, 19, 16, 13, 44, 26, 70, 39, 85, 69, 38, 84, 35, 66, 81]
  Fragment all atoms: [20, 19, 16, 13, 63, 6, 53, 54, 32, 78, 44, 26, 76, 47, 70, 39, 85, 69, 38, 84, 35, 66, 81]
  

• C₆H₁₀N₁O₅
  Fragment probability: 1.00
  Fragment mass: 176.14690000000004
  Fragment main chain atoms: [21, 23, 17, 14, 43, 25, 40, 71, 86, 67, 36, 82]
  Fragment all atoms: [21, 23, 73, 46, 17, 14, 64, 7, 55, 56, 33, 79, 43, 25, 75, 31, 40, 71, 86, 67, 36, 82]
  

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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