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

Submission ID: AVG
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.67
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₅H₉N₁O₁
  Fragment probability: 0.50
  Fragment mass: 88.12789999999998
  Fragment main chain atoms: [3, 11, 4]
  Fragment all atoms: [3, 16, 17, 1, 12, 13, 5, 20, 11, 4, 18, 19, 2, 14, 15, 7]
  

• C₄H₆N₁O₃
  Fragment probability: 0.67
  Fragment mass: 118.11089999999999
  Fragment main chain atoms: [3, 1, 5, 6]
  Fragment all atoms: [3, 16, 17, 11, 1, 12, 13, 5, 20, 8, 6, 9, 10, 25]
  

• C₆H₁₀N₂O₃
  Fragment probability: 0.57
  Fragment mass: 162.18640000000002
  Fragment main chain atoms: [4, 11, 3, 1, 5, 6]
  Fragment all atoms: [4, 18, 19, 2, 14, 15, 7, 11, 3, 16, 17, 1, 12, 13, 5, 20, 8, 6, 9, 10, 25]
  

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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