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

Submission ID: IVM
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.31

List of identified carbohydrate fragments:

• C₆H₁₀O₄
  Fragment probability: 1.00
  Fragment mass: 146.14080000000004
  Fragment main chain atoms: [21, 36, 41, 30, 56, 38, 50, 129, 135]
  Fragment all atoms: [21, 108, 109, 36, 124, 53, 41, 30, 119, 7, 81, 82, 83, 56, 38, 126, 60, 50, 129, 135]
  

• C₆H₉O₄
  Fragment probability: 1.00
  Fragment mass: 145.13290000000003
  Fragment main chain atoms: [22, 37, 44, 31, 57, 39]
  Fragment all atoms: [22, 110, 111, 37, 125, 54, 44, 132, 60, 31, 120, 8, 84, 85, 86, 57, 39, 127, 59]
  

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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