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

Submission ID: Z5A
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.33

List of identified carbohydrate fragments:

• C₅H₇N₂O₂
  Fragment probability: 1.00
  Fragment mass: 127.12099999999998
  Fragment main chain atoms: [2, 9, 10, 47, 12]
  Fragment all atoms: [2, 61, 62, 9, 70, 27, 10, 71, 4, 64, 65, 45, 47, 12, 73, 29]
  

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [14, 15, 19, 48, 11]
  Fragment all atoms: [14, 74, 31, 80, 15, 75, 32, 81, 19, 76, 30, 48, 11, 72, 5, 66, 67, 46]
  

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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