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

Submission ID: 5KT
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.54

List of identified carbohydrate fragments:

• C₆H₁₀N₁O₄
  Fragment probability: 1.00
  Fragment mass: 160.14750000000004
  Fragment main chain atoms: [22, 18, 20, 16, 38, 24, 36, 61, 69, 34, 59, 67]
  Fragment all atoms: [22, 18, 57, 30, 20, 16, 55, 8, 50, 51, 32, 65, 38, 24, 63, 36, 61, 69, 34, 59, 67]
  

• C₆H₁₀N₁O₄
  Fragment probability: 1.00
  Fragment mass: 160.14750000000004
  Fragment main chain atoms: [19, 15, 37, 23, 21, 17, 33, 58, 66, 60, 35, 68]
  Fragment all atoms: [19, 15, 54, 7, 48, 49, 31, 64, 37, 23, 62, 21, 17, 56, 29, 33, 58, 66, 60, 35, 68]
  

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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