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

Submission ID: BV3
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.29

List of identified carbohydrate fragments:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [56, 54, 48, 42, 103, 60, 89, 174, 194, 87, 172, 192, 81, 170, 190]
  Fragment all atoms: [56, 54, 48, 42, 168, 31, 159, 160, 79, 188, 103, 60, 176, 101, 89, 174, 194, 87, 172, 192, 81, 170, 190]
  

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [57, 55, 49, 43, 104, 61, 175, 90, 195, 88, 173, 193, 82, 171, 191]
  Fragment all atoms: [57, 55, 49, 43, 169, 32, 161, 162, 80, 189, 104, 61, 177, 102, 175, 90, 195, 88, 173, 193, 82, 171, 191]
  

• C₃H₅N₁O₂
  Fragment probability: 0.64
  Fragment mass: 89.09289999999999
  Fragment main chain atoms: [33, 37, 34]
  Fragment all atoms: [33, 163, 164, 99, 37, 167, 64, 34, 165, 166, 100]
  

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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