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

Submission ID: ALB
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.30

List of identified carbohydrate fragments:

• C₆H₉N₁O₃
  Fragment probability: 1.00
  Fragment mass: 162.18660000000003
  Fragment main chain atoms: [27, 28, 34, 68, 29]
  Fragment all atoms: [27, 109, 55, 123, 28, 110, 56, 124, 34, 112, 46, 68, 29, 111, 26, 108, 25, 107, 54, 122]
  

• C₇H₉N₂O₅
  Fragment probability: 0.59
  Fragment mass: 190.15360000000004
  Fragment main chain atoms: [16, 23, 33, 44, 25, 35]
  Fragment all atoms: [16, 101, 102, 50, 121, 23, 106, 42, 33, 60, 44, 25, 107, 26, 108, 29, 111, 54, 122, 35, 61, 62, 125]
  

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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