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

Submission ID: MIV
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.43

List of identified carbohydrate fragments:

• C₆H₉O₅
  Fragment probability: 1.00
  Fragment mass: 161.13230000000004
  Fragment main chain atoms: [35, 34, 31, 25, 47, 37, 41, 102, 109]
  Fragment all atoms: [35, 106, 44, 34, 105, 43, 31, 25, 98, 6, 65, 66, 67, 47, 37, 108, 45, 41, 102, 109]
  

• C₆H₁₀N₁O₃
  Fragment probability: 1.00
  Fragment mass: 144.14810000000003
  Fragment main chain atoms: [32, 27, 19, 24, 46, 36, 42, 103, 110]
  Fragment all atoms: [32, 27, 100, 38, 19, 90, 91, 24, 97, 5, 62, 63, 64, 46, 36, 107, 49, 42, 103, 110]
  

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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