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

Submission ID: UCG
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.43

List of identified carbohydrate fragments:

• C₅H₇N₁O₄
  Fragment probability: 1.00
  Fragment mass: 145.1131
  Fragment main chain atoms: [10, 11, 6, 40, 16]
  Fragment all atoms: [10, 57, 28, 67, 11, 58, 42, 6, 55, 3, 50, 51, 38, 40, 16, 61, 25]
  

• C₅H₆N₁O₄
  Fragment probability: 1.00
  Fragment mass: 144.10520000000002
  Fragment main chain atoms: [41, 17, 13, 12, 7]
  Fragment all atoms: [41, 17, 62, 26, 13, 60, 44, 12, 59, 43, 7, 56, 4, 52, 53, 39]
  

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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