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

Submission ID: 2MK
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.42
• Compound probability: 0.75

List of identified carbohydrate fragments:

• C₁₈H₂₁N₃O₆
  Fragment probability: 0.42
  Fragment mass: 313.3057
  Fragment main chain atoms: [15, 24, 21, 28, 25, 22, 29, 26, 23, 30, 27, 36, 16]
  Fragment all atoms: [15, 66, 67, 31, 80, 24, 76, 32, 81, 21, 73, 12, 60, 61, 17, 70, 28, 25, 33, 22, 74, 13, 62, 63, 18, 71, 29, 26, 34, 23, 75, 14, 64, 65, 19, 72, 30, 27, 35, 36, 16, 68, 69, 20, 10, 11, 58, 59]
  

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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