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

Submission ID: TGZ
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.65

List of identified carbohydrate fragments:

• C₆H₁₁O₅
  Fragment probability: 1.00
  Fragment mass: 163.14810000000006
  Fragment main chain atoms: [18, 17, 15, 12, 33, 20, 51, 31, 60, 50, 30, 59, 48, 28, 57]
  Fragment all atoms: [18, 17, 15, 12, 45, 7, 42, 43, 26, 55, 33, 20, 53, 51, 31, 60, 50, 30, 59, 48, 28, 57]
  

• C₆H₁₀N₁O₄
  Fragment probability: 1.00
  Fragment mass: 160.14750000000004
  Fragment main chain atoms: [14, 11, 32, 19, 16, 13, 47, 27, 56, 29, 49, 58]
  Fragment all atoms: [14, 11, 44, 6, 40, 41, 25, 54, 32, 19, 52, 16, 13, 46, 24, 47, 27, 56, 29, 49, 58]
  

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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