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

Submission ID: 8VT
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.73

List of identified carbohydrate fragments:

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [25, 27, 23, 20, 44, 30, 74, 38, 85, 36, 72, 83]
  Fragment all atoms: [25, 27, 76, 42, 23, 20, 69, 12, 63, 64, 33, 81, 44, 30, 78, 45, 74, 38, 85, 36, 72, 83]
  

• C₁₄H₁₇N₂O₆
  Fragment probability: 1.00
  Fragment mass: 284.2645999999999
  Fragment main chain atoms: [22, 24, 26, 21, 43, 29, 28, 80, 17, 32, 39, 15, 79, 1, 31, 35, 37, 73, 84]
  Fragment all atoms: [22, 71, 24, 26, 75, 45, 21, 70, 13, 65, 66, 34, 82, 43, 29, 77, 28, 80, 17, 7, 11, 58, 5, 56, 62, 19, 32, 39, 15, 79, 1, 46, 47, 48, 31, 35, 37, 73, 84]
  

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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