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

Submission ID: MFN
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.62
• Compound probability: 0.51

List of identified carbohydrate fragments:

• C₈H₁₂O₄
  Fragment probability: 0.62
  Fragment mass: 144.125
  Fragment main chain atoms: [32, 24, 25, 33]
  Fragment all atoms: [32, 46, 47, 96, 24, 87, 5, 60, 61, 9, 68, 69, 25, 88, 6, 62, 63, 12, 74, 75, 33, 48, 49, 97]
  

• C₉H₁₂N₂O₅
  Fragment probability: 0.55
  Fragment mass: 216.19080000000002
  Fragment main chain atoms: [34, 26, 39, 30, 11, 8, 27, 35]
  Fragment all atoms: [34, 50, 51, 98, 26, 89, 7, 64, 65, 10, 70, 71, 39, 30, 43, 11, 72, 73, 8, 66, 67, 27, 90, 38, 35, 52, 53, 99]
  

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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