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

Submission ID: 9F3
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: 162.14020000000002
  Fragment main chain atoms: [8, 6, 20, 11, 10]
  Fragment all atoms: [8, 34, 17, 41, 6, 32, 2, 25, 26, 14, 38, 20, 11, 3, 27, 28, 15, 39, 19, 10, 36, 22]
  

• C₉H₁₂O₇
  Fragment probability: 1.00
  Fragment mass: 174.1509
  Fragment main chain atoms: [4, 19, 11, 10, 22, 12]
  Fragment all atoms: [4, 29, 30, 19, 11, 3, 27, 28, 15, 39, 20, 10, 36, 8, 34, 6, 32, 17, 41, 22, 12, 9, 35, 7, 33, 18, 42, 21]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 162.14020000000002
  Fragment main chain atoms: [7, 9, 12, 21, 5]
  Fragment all atoms: [7, 33, 16, 40, 9, 35, 18, 42, 12, 4, 29, 30, 19, 22, 21, 5, 31, 1, 23, 24, 13, 37]
  

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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