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

Submission ID: 6NB
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.88
• Compound probability: 0.14

List of identified carbohydrate fragments:

• C₄H₈O₃
  Fragment probability: 0.88
  Fragment mass: 104.10419999999999
  Fragment main chain atoms: [17, 69, 19]
  Fragment all atoms: [17, 97, 98, 18, 99, 100, 70, 69, 19, 101, 102, 21, 105, 106, 71]
  

• C₄H₈O₃
  Fragment probability: 0.88
  Fragment mass: 104.10419999999999
  Fragment main chain atoms: [17, 18, 70, 20]
  Fragment all atoms: [17, 97, 98, 69, 18, 99, 100, 70, 20, 103, 104, 22, 107, 108, 72]
  

• C₆H₁₂O₄
  Fragment probability: 0.83
  Fragment mass: 148.1566
  Fragment main chain atoms: [19, 69, 17, 18, 70, 20]
  Fragment all atoms: [19, 101, 102, 21, 105, 106, 71, 69, 17, 97, 98, 18, 99, 100, 70, 20, 103, 104, 22, 107, 108, 72]
  

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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