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

Submission ID: ULP
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.47

List of identified carbohydrate fragments:

• C₈H₁₁N₂O₆
  Fragment probability: 1.00
  Fragment mass: 231.1823
  Fragment main chain atoms: [16, 24, 50, 21, 19, 15, 10, 79, 2, 28, 31, 74, 35, 83]
  Fragment all atoms: [16, 72, 24, 78, 51, 50, 21, 76, 23, 37, 38, 85, 19, 15, 71, 27, 10, 79, 2, 59, 60, 61, 28, 31, 74, 35, 83]
  

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [18, 20, 22, 49, 13]
  Fragment all atoms: [18, 73, 34, 82, 20, 75, 36, 84, 22, 77, 30, 49, 13, 70, 8, 68, 69, 48]
  

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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