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

Submission ID: P3M
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.89

List of identified carbohydrate fragments:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [8, 14, 12, 16, 33, 4, 22, 49, 63, 26, 53, 67, 28, 57, 69]
  Fragment all atoms: [8, 14, 55, 36, 12, 16, 33, 4, 45, 1, 39, 40, 19, 60, 22, 49, 63, 26, 53, 67, 28, 57, 69]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [13, 15, 9, 5, 34, 18, 27, 54, 68, 23, 50, 64]
  Fragment all atoms: [13, 15, 56, 37, 9, 5, 46, 2, 41, 42, 20, 61, 34, 18, 59, 36, 27, 54, 68, 23, 50, 64]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [11, 10, 7, 6, 35, 17, 25, 52, 66, 24, 51, 65, 21, 48, 62]
  Fragment all atoms: [11, 10, 7, 6, 47, 3, 43, 44, 32, 35, 17, 58, 37, 25, 52, 66, 24, 51, 65, 21, 48, 62]
  

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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