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

Submission ID: BJ1
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.82

List of identified carbohydrate fragments:

• C₅H₁₀O₃
  Fragment probability: 1.00
  Fragment mass: 164.2222
  Fragment main chain atoms: [3, 6, 9, 8, 21]
  Fragment all atoms: [3, 27, 28, 6, 32, 14, 40, 9, 35, 16, 42, 8, 34, 2, 25, 26, 12, 38, 21]
  

• C₅H₁₀O₄
  Fragment probability: 0.90
  Fragment mass: 117.12280000000001
  Fragment main chain atoms: [1, 5, 10, 7]
  Fragment all atoms: [1, 23, 24, 11, 37, 5, 31, 13, 39, 10, 36, 20, 7, 33, 4, 29, 30, 15, 41]
  

• C₃H₆O₃
  Fragment probability: 1.00
  Fragment mass: 104.10420000000002
  Fragment main chain atoms: [1, 5, 10]
  Fragment all atoms: [1, 23, 24, 11, 37, 5, 31, 13, 39, 10, 36, 20]
  

• C₅H₉O₃
  Fragment probability: 0.75
  Fragment mass: 70.0896
  Fragment main chain atoms: [7, 10]
  Fragment all atoms: [7, 33, 4, 29, 30, 15, 41, 10, 36, 5, 31, 1, 23, 24, 13, 39, 20]
  

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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