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

Submission ID: XBK
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.57

List of identified carbohydrate fragments:

• C₁₀H₁₄O₅
  Fragment probability: 1.00
  Fragment mass: 171.17010000000002
  Fragment main chain atoms: [19, 24, 27, 25, 46, 33, 36, 79, 89]
  Fragment all atoms: [19, 73, 74, 24, 27, 81, 31, 41, 40, 92, 25, 80, 17, 69, 70, 23, 78, 46, 33, 18, 71, 72, 22, 77, 42, 93, 36, 79, 89]
  

• C₆H₁₀N₁O₄
  Fragment probability: 1.00
  Fragment mass: 162.16330000000005
  Fragment main chain atoms: [30, 28, 29, 21, 44, 32, 84, 39, 91, 83, 38, 90]
  Fragment all atoms: [30, 28, 82, 34, 29, 21, 76, 2, 50, 51, 52, 44, 32, 85, 45, 84, 39, 91, 83, 38, 90]
  

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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