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

Submission ID: GUM
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:

• C₈H₁₄N₁O₆
  Fragment probability: 1.00
  Fragment mass: 220.19930000000002
  Fragment main chain atoms: [19, 22, 21, 16, 39, 26, 11, 69, 2, 31, 27, 35, 64, 74, 34, 63, 73]
  Fragment all atoms: [19, 61, 22, 21, 16, 59, 8, 55, 56, 29, 71, 39, 26, 68, 41, 11, 69, 2, 45, 46, 47, 31, 27, 35, 64, 74, 34, 63, 73]
  

• C₈H₁₃N₁O₆
  Fragment probability: 1.00
  Fragment mass: 219.1914
  Fragment main chain atoms: [20, 23, 24, 17, 40, 25, 12, 70, 3, 32, 28, 36, 65, 75]
  Fragment all atoms: [20, 62, 23, 24, 66, 41, 17, 60, 9, 57, 58, 30, 72, 40, 25, 67, 37, 12, 70, 3, 48, 49, 50, 32, 28, 36, 65, 75]
  

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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