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

Submission ID: EJT
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.78

List of identified carbohydrate fragments:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [23, 21, 19, 17, 46, 27, 40, 75, 87, 38, 73, 85, 36, 71, 83]
  Fragment all atoms: [23, 21, 19, 17, 69, 12, 66, 67, 34, 81, 46, 27, 77, 44, 40, 75, 87, 38, 73, 85, 36, 71, 83]
  

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [22, 20, 18, 16, 45, 26, 39, 74, 86, 37, 72, 84, 35, 70, 82]
  Fragment all atoms: [22, 20, 18, 16, 68, 11, 64, 65, 33, 80, 45, 26, 76, 43, 39, 74, 86, 37, 72, 84, 35, 70, 82]
  

• C₄H₆N₁O₂
  Fragment probability: 0.56
  Fragment mass: 97.1149
  Fragment main chain atoms: [5, 1, 3, 29, 24]
  Fragment all atoms: [5, 55, 56, 43, 1, 47, 48, 3, 51, 52, 29, 24, 41]
  

• C₄H₆N₁O₂
  Fragment probability: 0.56
  Fragment mass: 97.1149
  Fragment main chain atoms: [6, 2, 4, 30, 25]
  Fragment all atoms: [6, 57, 58, 44, 2, 49, 50, 4, 53, 54, 30, 25, 42]
  

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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