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

Submission ID: 2ZF
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.56
• Compound probability: 0.83

List of identified carbohydrate fragments:

• C₁₄H₁₅N₃O₇
  Fragment probability: 0.47
  Fragment mass: 314.2706999999999
  Fragment main chain atoms: [15, 7, 6, 11, 17, 25, 13, 18, 24, 12, 16, 19]
  Fragment all atoms: [15, 27, 28, 67, 7, 53, 54, 6, 51, 52, 11, 60, 26, 17, 30, 25, 13, 62, 8, 55, 56, 10, 59, 18, 31, 24, 12, 61, 9, 57, 58, 14, 63, 16, 29, 19, 32, 33, 68]
  

• C₄H₄N₁O₃
  Fragment probability: 0.56
  Fragment mass: 85.06130000000002
  Fragment main chain atoms: [19, 16]
  Fragment all atoms: [19, 32, 33, 68, 16, 12, 61, 9, 57, 58, 24, 29]
  

• C₄H₉O₁
  Fragment probability: 0.56
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [3, 21, 4]
  Fragment all atoms: [3, 42, 43, 44, 21, 5, 48, 49, 50, 35, 4, 45, 46, 47]
  

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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