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

Submission ID: A5A
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.61

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [8, 9, 13, 27, 6]
  Fragment all atoms: [8, 38, 21, 46, 9, 39, 22, 47, 13, 40, 20, 27, 6, 37, 2, 32, 33, 26]
  

• C₄H₆N₂O₂
  Fragment probability: 0.50
  Fragment mass: 210.20790000000002
  Fragment main chain atoms: [2, 26, 28, 19, 12, 5, 1]
  Fragment all atoms: [2, 32, 33, 26, 28, 19, 12, 23, 5, 36, 14, 1, 29, 30, 31]
  

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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