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

Submission ID: 6EK
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.48
• Compound probability: 0.51

List of identified carbohydrate fragments:

• C₁₃H₁₄N₃O₇
  Fragment probability: 0.48
  Fragment mass: 303.26789999999994
  Fragment main chain atoms: [8, 10, 5, 12, 18, 32, 11, 19, 35, 16, 21]
  Fragment all atoms: [8, 58, 59, 45, 10, 60, 36, 77, 5, 54, 55, 12, 62, 33, 18, 39, 32, 11, 61, 4, 52, 53, 9, 19, 40, 35, 16, 65, 17, 66, 13, 38, 79, 21, 43, 42, 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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