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

Submission ID: I0X
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.56
• Compound probability: 0.65

List of identified carbohydrate fragments:

• C₁₄H₁₁N₃O₄
  Fragment probability: 0.31
  Fragment mass: 237.2116
  Fragment main chain atoms: [21, 39, 30, 35, 27, 29, 34, 26, 28, 20]
  Fragment all atoms: [21, 69, 70, 24, 13, 12, 59, 58, 39, 30, 38, 35, 27, 72, 19, 66, 67, 22, 29, 37, 34, 26, 71, 18, 64, 65, 23, 28, 36, 20, 68, 33]
  

• C₁₃H₁₀N₂O₄
  Fragment probability: 0.32
  Fragment mass: 221.21219999999997
  Fragment main chain atoms: [21, 39, 30, 35, 27, 29, 34, 26, 28]
  Fragment all atoms: [21, 69, 70, 24, 13, 12, 59, 58, 39, 30, 38, 35, 27, 72, 19, 66, 67, 22, 29, 37, 34, 26, 71, 18, 64, 65, 23, 28, 36]
  

• C₄H₉O₁
  Fragment probability: 0.56
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [1, 31, 2]
  Fragment all atoms: [1, 41, 42, 43, 31, 3, 47, 48, 49, 40, 2, 44, 45, 46]
  

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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