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

Submission ID: EGV
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.62
• Compound probability: 0.85

List of identified carbohydrate fragments:

• C₄H₄O₃
  Fragment probability: 0.62
  Fragment mass: 71.05460000000001
  Fragment main chain atoms: [5, 4]
  Fragment all atoms: [5, 12, 13, 24, 4, 1, 14, 15, 3, 18, 11]
  

• C₆H₇N₁O₄
  Fragment probability: 0.58
  Fragment mass: 189.16880000000003
  Fragment main chain atoms: [5, 4, 1, 3, 2, 9, 6]
  Fragment all atoms: [5, 12, 13, 24, 4, 11, 1, 14, 15, 3, 18, 10, 23, 2, 16, 17, 9, 6]
  

• C₅H₆N₁O₂
  Fragment probability: 0.45
  Fragment mass: 173.16940000000005
  Fragment main chain atoms: [4, 1, 3, 2, 9, 6]
  Fragment all atoms: [4, 11, 1, 14, 15, 3, 18, 10, 23, 2, 16, 17, 9, 6]
  

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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