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

Submission ID: MGW
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.56
• Compound probability: 0.57

List of identified carbohydrate fragments:

• C₈H₈N₂O₅
  Fragment probability: 0.50
  Fragment mass: 229.18959999999998
  Fragment main chain atoms: [18, 12, 23, 11, 17, 22, 16, 19]
  Fragment all atoms: [18, 25, 26, 52, 12, 46, 47, 23, 11, 44, 45, 17, 24, 22, 16, 49, 9, 41, 42, 15, 19, 28, 27]
  

• C₉H₁₁N₂O₅
  Fragment probability: 0.53
  Fragment mass: 244.22399999999996
  Fragment main chain atoms: [18, 12, 23, 11, 17, 22, 16, 19, 28, 1]
  Fragment all atoms: [18, 25, 26, 52, 12, 46, 47, 23, 11, 44, 45, 17, 24, 22, 16, 49, 9, 41, 42, 15, 19, 27, 28, 1, 29, 30, 31]
  

• C₄H₆N₁O₂
  Fragment probability: 0.56
  Fragment mass: 71.07770000000001
  Fragment main chain atoms: [19, 28, 1]
  Fragment all atoms: [19, 16, 49, 9, 41, 42, 22, 27, 28, 1, 29, 30, 31]
  

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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