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

Submission ID: 6E1
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.71

List of identified carbohydrate fragments:

• C₁₂H₁₁N₁O₅
  Fragment probability: 1.00
  Fragment mass: 225.19760000000002
  Fragment main chain atoms: [21, 27, 49, 5, 19, 17, 25, 72, 7, 37, 45, 43, 68, 78, 41, 66, 76]
  Fragment all atoms: [21, 27, 70, 49, 5, 62, 3, 58, 59, 39, 74, 19, 17, 64, 25, 72, 7, 9, 10, 13, 14, 37, 45, 43, 68, 78, 41, 66, 76]
  

• C₁₂H₁₁N₁O₅
  Fragment probability: 1.00
  Fragment mass: 225.19760000000002
  Fragment main chain atoms: [22, 18, 20, 6, 50, 28, 26, 73, 8, 38, 46, 69, 44, 79, 42, 67, 77]
  Fragment all atoms: [22, 18, 65, 20, 6, 63, 4, 60, 61, 40, 75, 50, 28, 71, 26, 73, 8, 12, 11, 16, 15, 38, 46, 69, 44, 79, 42, 67, 77]
  

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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