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

Submission ID: DQR
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: [31, 16, 13, 12, 9, 6, 27, 52, 64, 26, 51, 63, 23, 48, 60]
  Fragment all atoms: [31, 16, 55, 34, 13, 12, 9, 6, 45, 1, 35, 36, 19, 56, 27, 52, 64, 26, 51, 63, 23, 48, 60]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 162.14020000000002
  Fragment main chain atoms: [15, 11, 8, 33, 18]
  Fragment all atoms: [15, 54, 29, 66, 11, 50, 25, 62, 8, 47, 3, 39, 40, 21, 58, 33, 18, 5, 43, 44, 30, 34]
  

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 163.14810000000003
  Fragment main chain atoms: [14, 10, 7, 32, 17]
  Fragment all atoms: [14, 53, 28, 65, 10, 49, 24, 61, 7, 46, 2, 37, 38, 20, 57, 32, 17, 4, 41, 42, 22, 59, 30]
  

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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