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

Submission ID: UP1
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.58

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [12, 10, 6, 31, 13]
  Fragment all atoms: [12, 49, 24, 57, 10, 47, 22, 55, 6, 44, 4, 41, 42, 30, 31, 13, 50, 18]
  

• C₆H₁₀O₅
  Fragment probability: 1.00
  Fragment mass: 162.14020000000002
  Fragment main chain atoms: [8, 11, 9, 5, 32, 14, 23, 48, 56, 21, 46, 54]
  Fragment all atoms: [8, 45, 11, 9, 5, 43, 3, 39, 40, 19, 53, 32, 14, 51, 33, 23, 48, 56, 21, 46, 54]
  

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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