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

Submission ID: 0UB
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: 162.14020000000002
  Fragment main chain atoms: [32, 16, 13, 11, 8]
  Fragment all atoms: [32, 16, 4, 41, 42, 20, 57, 29, 66, 13, 53, 26, 63, 11, 51, 24, 61, 8, 48, 2, 37, 38, 30]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 162.14020000000002
  Fragment main chain atoms: [12, 15, 18, 34, 9]
  Fragment all atoms: [12, 52, 25, 62, 15, 55, 28, 65, 18, 6, 45, 46, 22, 59, 30, 34, 9, 49, 3, 39, 40, 31]
  

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 163.14810000000003
  Fragment main chain atoms: [10, 14, 17, 33, 7]
  Fragment all atoms: [10, 50, 23, 60, 14, 54, 27, 64, 17, 5, 43, 44, 21, 58, 31, 33, 7, 47, 1, 35, 36, 19, 56]
  

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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