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

Submission ID: 5QP
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:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [11, 10, 9, 7, 22, 13, 21, 37, 47, 20, 36, 46, 19, 35, 45]
  Fragment all atoms: [11, 10, 9, 7, 33, 3, 28, 29, 15, 41, 22, 13, 39, 23, 21, 37, 47, 20, 36, 46, 19, 35, 45]
  

• C₇H₁₃O₅
  Fragment probability: 1.00
  Fragment mass: 177.17460000000005
  Fragment main chain atoms: [5, 4, 12, 8, 6, 1]
  Fragment all atoms: [5, 31, 16, 42, 4, 30, 2, 26, 27, 14, 40, 12, 38, 23, 8, 34, 18, 44, 6, 32, 17, 43, 1, 24, 25]
  

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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