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

Submission ID: AMO
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.65

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [9, 10, 13, 29, 6]
  Fragment all atoms: [9, 40, 23, 48, 10, 41, 24, 49, 13, 42, 20, 29, 6, 39, 2, 34, 35, 28]
  

• C₅H₆N₁O₅
  Fragment probability: 0.87
  Fragment mass: 255.11890000000005
  Fragment main chain atoms: [2, 28, 31, 30, 14, 5, 1, 7]
  Fragment all atoms: [2, 34, 35, 28, 31, 30, 14, 25, 5, 38, 15, 1, 32, 33, 7, 21, 22, 47]
  

• C₄H₅N₁O₃
  Fragment probability: 0.61
  Fragment mass: 180.07559999999998
  Fragment main chain atoms: [2, 28, 31, 30, 14]
  Fragment all atoms: [2, 34, 35, 28, 31, 30, 14, 5, 38, 1, 32, 33, 15, 25]
  

• C₄H₄N₁O₄
  Fragment probability: 0.84
  Fragment mass: 132.09449999999998
  Fragment main chain atoms: [7, 1, 5, 14]
  Fragment all atoms: [7, 21, 22, 47, 1, 32, 33, 5, 38, 15, 14, 25, 30]
  

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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