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

Submission ID: OXX
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.93
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₄H₄N₁O₄
  Fragment probability: 0.84
  Fragment mass: 132.0945
  Fragment main chain atoms: [3, 1, 2, 4]
  Fragment all atoms: [3, 8, 14, 1, 15, 16, 2, 17, 7, 4, 9, 10, 20]
  

• C₅H₃O₅
  Fragment probability: 0.93
  Fragment mass: 114.05619999999999
  Fragment main chain atoms: [3, 14, 6, 5]
  Fragment all atoms: [3, 1, 15, 16, 2, 17, 8, 14, 6, 13, 5, 11, 12]
  

• C₆H₄N₁O₇
  Fragment probability: 0.65
  Fragment mass: 204.1141
  Fragment main chain atoms: [4, 2, 1, 3, 14, 6, 5]
  Fragment all atoms: [4, 9, 10, 20, 2, 17, 7, 1, 15, 16, 3, 8, 14, 6, 13, 5, 11, 12]
  

• C₅H₄N₁O₅
  Fragment probability: 0.85
  Fragment mass: 188.11469999999997
  Fragment main chain atoms: [4, 2, 1, 3, 14, 6]
  Fragment all atoms: [4, 9, 10, 20, 2, 17, 7, 1, 15, 16, 3, 8, 14, 6, 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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