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

Submission ID: UGB
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.62

List of identified carbohydrate fragments:

• C₆H₉O₇
  Fragment probability: 1.00
  Fragment mass: 193.13110000000006
  Fragment main chain atoms: [10, 7, 8, 11, 33, 14, 23, 47, 56, 20, 44, 53, 21, 45, 54]
  Fragment all atoms: [10, 7, 8, 11, 48, 13, 25, 24, 57, 33, 14, 50, 34, 23, 47, 56, 20, 44, 53, 21, 45, 54]
  

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [9, 6, 4, 32, 12]
  Fragment all atoms: [9, 46, 22, 55, 6, 43, 19, 52, 4, 42, 3, 40, 41, 31, 32, 12, 49, 17]
  

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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