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

Submission ID: AKA
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.35

List of identified carbohydrate fragments:

• C₆H₁₀O₄
  Fragment probability: 1.00
  Fragment mass: 146.14080000000004
  Fragment main chain atoms: [15, 27, 39, 20, 51, 31, 44, 95, 103]
  Fragment all atoms: [15, 85, 86, 27, 39, 101, 53, 20, 93, 4, 64, 65, 66, 51, 31, 99, 54, 44, 95, 103]
  

• C₆H₉N₁O₃
  Fragment probability: 1.00
  Fragment mass: 143.14020000000002
  Fragment main chain atoms: [14, 24, 38, 19, 50, 30]
  Fragment all atoms: [14, 83, 84, 24, 94, 41, 38, 100, 54, 19, 92, 3, 61, 62, 63, 50, 30, 98, 52]
  

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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