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

Submission ID: FXM
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.90
• Compound probability: 0.61

List of identified carbohydrate fragments:

• C₄H₃N₂O₂
  Fragment probability: 0.35
  Fragment mass: 109.1058
  Fragment main chain atoms: [7, 14, 26, 17]
  Fragment all atoms: [7, 54, 29, 14, 62, 18, 63, 28, 26, 17, 30]
  

• C₇H₁₁O₄
  Fragment probability: 0.68
  Fragment mass: 109.08269999999999
  Fragment main chain atoms: [19, 35, 11, 36, 20]
  Fragment all atoms: [19, 31, 35, 11, 60, 61, 36, 20, 23, 2, 3, 4, 42, 43, 44, 45, 46, 47, 48, 49, 50, 32]
  

• C₂O₂
  Fragment probability: 0.90
  Fragment mass: 101.12340000000002
  Fragment main chain atoms: [20, 23]
  Fragment all atoms: [20, 32, 36, 23]
  

• C₄H₆
  Fragment probability: 0.38
  Fragment mass: 79.0766
  Fragment main chain atoms: [6, 13]
  Fragment all atoms: [6, 53, 5, 51, 52, 1, 39, 40, 41, 13]
  

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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