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

Submission ID: 8VQ
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.76

List of identified carbohydrate fragments:

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [20, 22, 18, 15, 37, 24, 63, 33, 74, 31, 61, 72]
  Fragment all atoms: [20, 22, 65, 35, 18, 15, 58, 8, 52, 53, 27, 70, 37, 24, 67, 38, 63, 33, 74, 31, 61, 72]
  

• C₁₀H₁₇N₂O₆
  Fragment probability: 1.00
  Fragment mass: 261.2511
  Fragment main chain atoms: [19, 21, 16, 36, 23, 17, 12, 69, 2, 26, 30, 11, 68, 1, 25, 29, 32, 62, 73]
  Fragment all atoms: [19, 21, 64, 38, 16, 59, 9, 54, 55, 28, 71, 36, 23, 66, 17, 60, 12, 69, 2, 42, 43, 44, 26, 30, 11, 68, 1, 39, 40, 41, 25, 29, 32, 62, 73]
  

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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