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

Submission ID: SMD
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.92

List of identified carbohydrate fragments:

• C₆H₁₀O₅
  Fragment probability: 1.00
  Fragment mass: 162.14020000000002
  Fragment main chain atoms: [11, 9, 7, 4, 22, 12, 19, 37, 47, 17, 35, 45]
  Fragment all atoms: [11, 39, 9, 7, 4, 32, 2, 28, 29, 14, 42, 22, 12, 40, 21, 19, 37, 47, 17, 35, 45]
  

• C₆H₁₁O₅
  Fragment probability: 1.00
  Fragment mass: 163.14810000000006
  Fragment main chain atoms: [10, 8, 6, 5, 23, 13, 38, 20, 48, 18, 36, 46, 16, 34, 44]
  Fragment all atoms: [10, 8, 6, 5, 33, 3, 30, 31, 15, 43, 23, 13, 41, 38, 20, 48, 18, 36, 46, 16, 34, 44]
  

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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