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

Submission ID: MVI
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.45

List of identified carbohydrate fragments:

• C₆H₁₁O₅
  Fragment probability: 1.00
  Fragment mass: 163.14810000000003
  Fragment main chain atoms: [32, 31, 29, 23, 45, 34, 97, 42, 104, 96, 41, 103, 94, 39, 101]
  Fragment all atoms: [32, 31, 29, 23, 90, 6, 63, 64, 65, 45, 34, 99, 43, 97, 42, 104, 96, 41, 103, 94, 39, 101]
  

• C₆H₁₀N₁O₃
  Fragment probability: 1.00
  Fragment mass: 144.14810000000003
  Fragment main chain atoms: [30, 25, 17, 22, 44, 35, 40, 95, 102]
  Fragment all atoms: [30, 25, 92, 36, 17, 82, 83, 22, 89, 5, 60, 61, 62, 44, 35, 100, 47, 40, 95, 102]
  

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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