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

Submission ID: D2C
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.61

List of identified carbohydrate fragments:

• C₁₄H₁₄N₁O₄
  Fragment probability: 1.00
  Fragment mass: 211.21400000000008
  Fragment main chain atoms: [6, 5, 7, 11, 17, 10]
  Fragment all atoms: [6, 42, 15, 47, 20, 24, 5, 40, 41, 7, 43, 16, 48, 12, 26, 54, 11, 45, 18, 50, 13, 28, 56, 17, 49, 27, 55, 10, 44, 19, 14, 46, 29]
  

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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