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

Submission ID: BV2
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.36

List of identified carbohydrate fragments:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [44, 42, 40, 38, 83, 48, 69, 146, 162, 67, 144, 160, 65, 142, 158]
  Fragment all atoms: [44, 42, 40, 38, 140, 27, 131, 132, 63, 156, 83, 48, 148, 81, 69, 146, 162, 67, 144, 160, 65, 142, 158]
  

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [45, 43, 41, 39, 84, 49, 147, 70, 163, 68, 145, 161, 66, 143, 159]
  Fragment all atoms: [45, 43, 41, 39, 141, 28, 133, 134, 64, 157, 84, 49, 149, 82, 147, 70, 163, 68, 145, 161, 66, 143, 159]
  

• C₃H₅N₁O₂
  Fragment probability: 0.64
  Fragment mass: 89.09289999999999
  Fragment main chain atoms: [29, 33, 30]
  Fragment all atoms: [29, 135, 136, 79, 33, 139, 52, 30, 137, 138, 80]
  

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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