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

Submission ID: OOC
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.71

List of identified carbohydrate fragments:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [16, 14, 13, 11, 28, 19, 26, 58, 68, 24, 56, 66, 23, 55, 65]
  Fragment all atoms: [16, 14, 13, 11, 53, 9, 49, 50, 21, 63, 28, 19, 61, 30, 26, 58, 68, 24, 56, 66, 23, 55, 65]
  

• C₆H₁₀O₅
  Fragment probability: 1.00
  Fragment mass: 162.14020000000005
  Fragment main chain atoms: [17, 15, 18, 12, 29, 20, 27, 59, 69, 25, 57, 67]
  Fragment all atoms: [17, 15, 18, 60, 30, 12, 54, 10, 51, 52, 22, 64, 29, 20, 62, 27, 59, 69, 25, 57, 67]
  

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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