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

Submission ID: 1U8
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.64
• Compound probability: 0.60

List of identified carbohydrate fragments:

• C₅H₆N₁O₄
  Fragment probability: 0.64
  Fragment mass: 146.121
  Fragment main chain atoms: [7, 11, 10, 6, 12]
  Fragment all atoms: [7, 32, 33, 20, 11, 16, 10, 34, 15, 6, 30, 31, 12, 18, 17, 37]
  

• C₄H₃O₃
  Fragment probability: 0.56
  Fragment mass: 82.0574
  Fragment main chain atoms: [7, 20, 14]
  Fragment all atoms: [7, 32, 33, 11, 10, 34, 16, 20, 14, 19]
  

• C₆H₆N₁O₅
  Fragment probability: 0.62
  Fragment mass: 170.1424
  Fragment main chain atoms: [12, 6, 10, 11, 7, 20, 14]
  Fragment all atoms: [12, 18, 17, 37, 6, 30, 31, 10, 34, 15, 11, 16, 7, 32, 33, 20, 14, 19]
  

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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