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

Submission ID: 46D
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:

• C₆H₉O₇
  Fragment probability: 1.00
  Fragment mass: 193.1311000000001
  Fragment main chain atoms: [4, 6, 12, 27, 10, 9, 16, 36, 45, 18, 38, 47, 22, 43, 50]
  Fragment all atoms: [4, 6, 12, 27, 10, 42, 11, 21, 20, 49, 9, 41, 28, 16, 36, 45, 18, 38, 47, 22, 43, 50]
  

• C₆H₉O₆
  Fragment probability: 1.00
  Fragment mass: 177.13170000000005
  Fragment main chain atoms: [8, 5, 7, 13, 26, 3, 17, 37, 46, 19, 39, 48]
  Fragment all atoms: [8, 40, 29, 5, 7, 13, 44, 28, 26, 3, 35, 2, 33, 34, 25, 17, 37, 46, 19, 39, 48]
  

• C₈H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 190.15030000000002
  Fragment main chain atoms: [29, 8, 3, 2, 25, 15]
  Fragment all atoms: [29, 8, 40, 5, 37, 7, 39, 17, 46, 3, 35, 26, 2, 33, 34, 25, 15, 1, 14, 30, 31, 32, 23, 24, 51]
  

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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