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

Submission ID: 9SD
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.95

List of identified carbohydrate fragments:

• C₁₀H₁₄N₁O₆
  Fragment probability: 1.00
  Fragment mass: 230.19420000000002
  Fragment main chain atoms: [8, 6, 10, 20, 9, 7, 4, 33, 1, 15, 13, 17, 31, 36]
  Fragment all atoms: [8, 6, 29, 10, 11, 18, 19, 37, 20, 9, 32, 5, 28, 2, 24, 25, 16, 35, 7, 30, 4, 33, 1, 21, 22, 23, 15, 13, 17, 31, 36]
  

• C₃H₇O₂
  Fragment probability: 0.75
  Fragment mass: 87.09689999999999
  Fragment main chain atoms: [3, 2, 5]
  Fragment all atoms: [3, 26, 27, 14, 34, 2, 24, 25, 5, 28, 16, 35]
  

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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