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

Submission ID: 26P
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.69
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₇H₉N₁O₅
  Fragment probability: 0.63
  Fragment mass: 189.1655
  Fragment main chain atoms: [6, 4, 2, 1, 3, 5, 7]
  Fragment all atoms: [6, 10, 11, 23, 4, 20, 8, 2, 16, 17, 1, 14, 15, 3, 18, 19, 5, 9, 7, 12, 13, 24]
  

• C₄H₅O₃
  Fragment probability: 0.69
  Fragment mass: 71.05460000000001
  Fragment main chain atoms: [7, 5]
  Fragment all atoms: [7, 12, 13, 24, 5, 3, 18, 19, 1, 14, 15, 9]
  

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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