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

Submission ID: QO9
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.55

List of identified carbohydrate fragments:

• C₇H₆N₂O₄
  Fragment probability: 1.00
  Fragment mass: 155.13109999999998
  Fragment main chain atoms: [18, 24, 17, 33, 20]
  Fragment all atoms: [18, 77, 34, 24, 16, 14, 75, 25, 35, 17, 76, 13, 73, 74, 32, 33, 20, 78, 27]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [2, 22]
  Fragment all atoms: [2, 42, 43, 44, 22]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [3, 22]
  Fragment all atoms: [3, 45, 46, 47, 22]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [4, 22]
  Fragment all atoms: [4, 48, 49, 50, 22]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [5, 23]
  Fragment all atoms: [5, 51, 52, 53, 23]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [6, 23]
  Fragment all atoms: [6, 54, 55, 56, 23]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [7, 23]
  Fragment all atoms: [7, 57, 58, 59, 23]
  

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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