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

Submission ID: 10M
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.67

List of identified carbohydrate fragments:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [18, 16, 15, 13, 30, 21, 28, 64, 74, 26, 62, 72, 25, 61, 71]
  Fragment all atoms: [18, 16, 15, 13, 59, 11, 55, 56, 23, 69, 30, 21, 67, 32, 28, 64, 74, 26, 62, 72, 25, 61, 71]
  

• C₆H₁₀O₅
  Fragment probability: 1.00
  Fragment mass: 162.14020000000005
  Fragment main chain atoms: [19, 17, 20, 14, 31, 22, 65, 29, 75, 27, 63, 73]
  Fragment all atoms: [19, 17, 20, 66, 32, 14, 60, 12, 57, 58, 24, 70, 31, 22, 68, 65, 29, 75, 27, 63, 73]
  

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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