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

Submission ID: 3CU
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₆H₁₀N₁O₃
  Fragment probability: 1.00
  Fragment mass: 158.15480000000002
  Fragment main chain atoms: [4, 7, 5, 9, 1]
  Fragment all atoms: [4, 20, 11, 26, 7, 23, 13, 28, 5, 21, 8, 24, 6, 22, 14, 29, 9, 1, 15, 16]
  

• C₇H₁₂N₁O₄
  Fragment probability: 1.00
  Fragment mass: 189.18860000000004
  Fragment main chain atoms: [3, 6, 8, 5, 9]
  Fragment all atoms: [3, 19, 2, 17, 18, 10, 25, 6, 22, 12, 27, 8, 24, 14, 29, 5, 21, 7, 23, 4, 20, 13, 28, 9]
  

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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