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

Submission ID: AMD
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.63

List of identified carbohydrate fragments:

• C₅H₈N₁O₃
  Fragment probability: 1.00
  Fragment mass: 130.1216
  Fragment main chain atoms: [7, 2, 9, 28, 8]
  Fragment all atoms: [7, 40, 21, 47, 2, 33, 34, 9, 42, 20, 28, 8, 41, 3, 35, 36, 27]
  

• C₅H₆N₁O₅
  Fragment probability: 0.87
  Fragment mass: 255.11890000000005
  Fragment main chain atoms: [3, 27, 30, 29, 14, 6, 1, 10]
  Fragment all atoms: [3, 35, 36, 27, 30, 29, 14, 24, 6, 39, 15, 1, 31, 32, 10, 22, 23, 48]
  

• C₄H₅N₁O₃
  Fragment probability: 0.61
  Fragment mass: 180.07559999999998
  Fragment main chain atoms: [3, 27, 30, 29, 14]
  Fragment all atoms: [3, 35, 36, 27, 30, 29, 14, 6, 39, 1, 31, 32, 15, 24]
  

• C₄H₄N₁O₄
  Fragment probability: 0.84
  Fragment mass: 132.09449999999998
  Fragment main chain atoms: [10, 1, 6, 14]
  Fragment all atoms: [10, 22, 23, 48, 1, 31, 32, 6, 39, 15, 14, 24, 29]
  

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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