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

Submission ID: AGR
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.92

List of identified carbohydrate fragments:

• C₅H₉O₅
  Fragment probability: 1.00
  Fragment mass: 149.12160000000003
  Fragment main chain atoms: [8, 5, 3, 30, 15, 13, 22, 48, 61, 21, 45, 60, 27, 55, 66]
  Fragment all atoms: [8, 5, 3, 41, 42, 30, 15, 13, 53, 35, 22, 48, 61, 21, 45, 60, 27, 55, 66]
  

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [9, 10, 11, 16, 31, 6, 49, 23, 62, 24, 50, 63, 25, 51, 64]
  Fragment all atoms: [9, 10, 11, 16, 56, 33, 31, 6, 46, 1, 37, 38, 18, 57, 49, 23, 62, 24, 50, 63, 25, 51, 64]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 162.14020000000002
  Fragment main chain atoms: [14, 12, 7, 32, 17]
  Fragment all atoms: [14, 54, 26, 65, 12, 52, 34, 7, 47, 2, 39, 40, 19, 58, 32, 17, 4, 43, 44, 20, 59, 33]
  

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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