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

Submission ID: LQJ
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.45

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [12, 11, 19, 38, 7]
  Fragment all atoms: [12, 56, 40, 11, 55, 32, 66, 19, 59, 29, 38, 7, 53, 1, 45, 46, 31, 65]
  

• C₅H₆N₁O₄
  Fragment probability: 1.00
  Fragment mass: 144.10520000000002
  Fragment main chain atoms: [13, 14, 20, 39, 8]
  Fragment all atoms: [13, 57, 41, 14, 58, 42, 20, 60, 30, 39, 8, 54, 2, 47, 48, 37]
  

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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