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

Submission ID: 9CS
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₆H₁₀N₁O₅
  Fragment probability: 1.00
  Fragment mass: 178.16270000000006
  Fragment main chain atoms: [13, 8, 10, 7, 31, 18, 28, 49, 69, 25, 46, 66]
  Fragment all atoms: [13, 8, 44, 22, 10, 7, 43, 3, 38, 39, 24, 65, 31, 18, 54, 33, 28, 49, 69, 25, 46, 66]
  

• C₆H₈N₂O₃
  Fragment probability: 1.00
  Fragment mass: 160.17060000000004
  Fragment main chain atoms: [4, 15, 14, 16, 5, 1]
  Fragment all atoms: [4, 40, 20, 15, 51, 32, 14, 50, 29, 70, 16, 52, 33, 5, 41, 21, 1, 34, 35]
  

• C₆H₉N₂O₄
  Fragment probability: 1.00
  Fragment mass: 177.17790000000005
  Fragment main chain atoms: [9, 12, 11, 6, 30, 17, 27, 48, 68, 26, 47, 67]
  Fragment all atoms: [9, 45, 23, 12, 11, 6, 42, 2, 36, 37, 19, 30, 17, 53, 32, 27, 48, 68, 26, 47, 67]
  

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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