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

Submission ID: RX0
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.43

List of identified carbohydrate fragments:

• C₆H₈N₂O₂
  Fragment probability: 1.00
  Fragment mass: 128.14870000000002
  Fragment main chain atoms: [18, 26, 27, 19, 22]
  Fragment all atoms: [18, 62, 63, 26, 70, 30, 27, 71, 32, 74, 19, 64, 65, 22, 68, 28, 33, 31]
  

• C₄H₉O₁
  Fragment probability: 0.56
  Fragment mass: 59.0868
  Fragment main chain atoms: [17, 35, 1]
  Fragment all atoms: [17, 60, 61, 8, 46, 47, 7, 44, 45, 35, 1, 36, 37, 38]
  

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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