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

Submission ID: BT5
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.42

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [15, 16, 19, 35, 10]
  Fragment all atoms: [15, 57, 29, 64, 16, 58, 30, 65, 19, 59, 27, 35, 10, 54, 5, 47, 48, 34]
  

• C₄H₆O₃
  Fragment probability: 0.75
  Fragment mass: 165.06099999999998
  Fragment main chain atoms: [5, 34, 37, 36, 12]
  Fragment all atoms: [5, 47, 48, 34, 37, 36, 12, 4, 45, 46, 2, 41, 42, 28]
  

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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