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

Submission ID: OSU
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.84

List of identified carbohydrate fragments:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [17, 16, 14, 11, 30, 19, 27, 59, 67, 26, 58, 66, 24, 56, 64]
  Fragment all atoms: [17, 16, 14, 11, 54, 8, 48, 49, 21, 62, 30, 19, 61, 32, 27, 59, 67, 26, 58, 66, 24, 56, 64]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 162.14020000000002
  Fragment main chain atoms: [31, 20, 18, 15, 12]
  Fragment all atoms: [31, 20, 10, 52, 53, 22, 63, 32, 18, 60, 28, 68, 15, 57, 25, 65, 12, 55, 9, 50, 51, 29]
  

• C₄H₆O₂
  Fragment probability: 0.62
  Fragment mass: 85.08109999999999
  Fragment main chain atoms: [9, 29, 13]
  Fragment all atoms: [9, 50, 51, 29, 13, 7, 46, 47, 6, 44, 45, 23]
  

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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