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

Submission ID: LNV
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.83

List of identified carbohydrate fragments:

• C₁₀H₁₁N₂O₅
  Fragment probability: 1.00
  Fragment mass: 227.19359999999998
  Fragment main chain atoms: [6, 3, 8, 24, 11, 9, 5, 42, 1, 16, 19]
  Fragment all atoms: [6, 34, 17, 3, 31, 8, 12, 21, 22, 46, 24, 11, 38, 10, 37, 7, 35, 23, 9, 36, 5, 42, 1, 25, 26, 27, 16, 19]
  

• C₃H₆O₃
  Fragment probability: 1.00
  Fragment mass: 103.09630000000001
  Fragment main chain atoms: [4, 7, 10]
  Fragment all atoms: [4, 32, 33, 18, 44, 7, 35, 20, 45, 10, 37, 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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