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

Submission ID: UDG
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.41

List of identified carbohydrate fragments:

• C₁₀H₁₆N₁O₇
  Fragment probability: 1.00
  Fragment mass: 248.20940000000002
  Fragment main chain atoms: [42, 63, 31, 38, 40, 36, 34, 136, 25, 51, 44, 131, 54, 142]
  Fragment all atoms: [42, 135, 65, 63, 31, 127, 27, 121, 122, 47, 138, 38, 40, 133, 64, 36, 129, 34, 136, 25, 117, 118, 29, 125, 21, 111, 112, 48, 139, 51, 44, 131, 54, 142]
  

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [37, 39, 41, 62, 32]
  Fragment all atoms: [37, 130, 53, 141, 39, 132, 55, 143, 41, 134, 46, 62, 32, 128, 28, 123, 124, 61]
  

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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