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

Submission ID: T6D
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.79

List of identified carbohydrate fragments:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [19, 17, 15, 12, 32, 21, 64, 29, 73, 27, 62, 71, 25, 60, 69]
  Fragment all atoms: [19, 17, 15, 12, 58, 10, 54, 55, 23, 68, 32, 21, 66, 34, 64, 29, 73, 27, 62, 71, 25, 60, 69]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [16, 18, 20, 22, 33, 13, 61, 26, 70, 28, 63, 72, 65, 30, 74]
  Fragment all atoms: [16, 18, 20, 22, 67, 34, 33, 13, 59, 11, 56, 57, 31, 61, 26, 70, 28, 63, 72, 65, 30, 74]
  

• C₄H₆O₂
  Fragment probability: 0.62
  Fragment mass: 85.08109999999999
  Fragment main chain atoms: [11, 31, 14]
  Fragment all atoms: [11, 56, 57, 31, 14, 9, 52, 53, 8, 50, 51, 24]
  

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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