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

Submission ID: SMI
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.92

List of identified carbohydrate fragments:

• C₁₀H₁₃N₁O₇
  Fragment probability: 1.00
  Fragment mass: 203.1491
  Fragment main chain atoms: [23, 11, 10, 24, 14, 12]
  Fragment all atoms: [23, 11, 42, 9, 40, 6, 37, 18, 47, 10, 41, 7, 38, 8, 39, 16, 24, 14, 13, 4, 34, 35, 19, 20, 48, 49, 21, 50, 12, 43, 22]
  

• C₆H₈N₂O₄
  Fragment probability: 1.00
  Fragment mass: 174.15420000000003
  Fragment main chain atoms: [7, 8, 6, 9, 11, 10]
  Fragment all atoms: [7, 38, 16, 8, 39, 17, 46, 6, 37, 15, 9, 40, 18, 47, 11, 42, 23, 10, 41, 24]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.1396
  Fragment main chain atoms: [4, 13, 14, 12, 22, 5]
  Fragment all atoms: [4, 34, 35, 13, 19, 20, 48, 49, 14, 21, 24, 50, 12, 43, 23, 22, 5, 36, 1, 25, 26, 27]
  

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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