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

Submission ID: NLC
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:

• C₈H₁₄N₁O₆
  Fragment probability: 1.00
  Fragment mass: 220.19930000000002
  Fragment main chain atoms: [9, 12, 6, 24, 13, 7, 4, 44, 1, 18, 15, 20, 38, 48, 23, 42, 51]
  Fragment all atoms: [9, 12, 41, 26, 6, 35, 3, 32, 33, 17, 46, 24, 13, 7, 36, 4, 44, 1, 27, 28, 29, 18, 15, 20, 38, 48, 23, 42, 51]
  

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [11, 10, 8, 5, 25, 14, 22, 40, 50, 21, 39, 49, 19, 37, 47]
  Fragment all atoms: [11, 10, 8, 5, 34, 2, 30, 31, 16, 45, 25, 14, 43, 26, 22, 40, 50, 21, 39, 49, 19, 37, 47]
  

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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