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

Submission ID: DR3
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₆H₁₁O₅
  Fragment probability: 1.00
  Fragment mass: 163.14810000000006
  Fragment main chain atoms: [32, 19, 15, 13, 10, 5, 56, 30, 70, 28, 54, 68, 25, 51, 65]
  Fragment all atoms: [32, 19, 60, 36, 15, 13, 10, 5, 47, 1, 37, 38, 39, 56, 30, 70, 28, 54, 68, 25, 51, 65]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [14, 11, 7, 34, 20, 17, 29, 55, 69, 26, 52, 66]
  Fragment all atoms: [14, 11, 7, 48, 3, 43, 44, 22, 63, 34, 20, 61, 35, 17, 58, 36, 29, 55, 69, 26, 52, 66]
  

• C₈H₁₄N₁O₆
  Fragment probability: 1.00
  Fragment mass: 220.19930000000002
  Fragment main chain atoms: [9, 18, 33, 8, 12, 16, 6, 62, 2, 24, 21, 31, 59, 71, 27, 53, 67]
  Fragment all atoms: [9, 50, 18, 33, 8, 49, 4, 45, 46, 23, 64, 12, 16, 57, 35, 6, 62, 2, 40, 41, 42, 24, 21, 31, 59, 71, 27, 53, 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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