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

Submission ID: FB0
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.58

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.12100000000004
  Fragment main chain atoms: [50, 26, 23, 22, 19]
  Fragment all atoms: [50, 26, 89, 36, 23, 88, 42, 100, 22, 87, 41, 99, 19, 85, 10, 75, 76, 49]
  

• C₉H₁₅N₃O₆
  Fragment probability: 0.64
  Fragment mass: 291.28030000000007
  Fragment main chain atoms: [9, 18, 21, 17, 8, 35, 12, 33, 27, 34, 16, 3]
  Fragment all atoms: [9, 73, 74, 48, 18, 84, 39, 97, 21, 86, 40, 98, 17, 83, 38, 96, 8, 71, 72, 35, 12, 78, 79, 33, 27, 43, 34, 16, 37, 3, 60, 61, 62]
  

• C₆H₁₂O₆
  Fragment probability: 1.00
  Fragment mass: 306.1006
  Fragment main chain atoms: [10, 49, 53, 51, 52, 48, 9, 18, 21]
  Fragment all atoms: [10, 75, 76, 49, 53, 51, 52, 48, 9, 73, 74, 18, 84, 39, 97, 21, 86, 17, 83, 8, 71, 72, 38, 96, 40, 98]
  

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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