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

Submission ID: TAO
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.35

List of identified carbohydrate fragments:

• C₆H₉N₁O₃
  Fragment probability: 1.00
  Fragment mass: 143.14020000000002
  Fragment main chain atoms: [37, 30, 15, 20, 50, 40]
  Fragment all atoms: [37, 123, 55, 30, 116, 42, 15, 100, 101, 20, 109, 2, 61, 62, 63, 50, 40, 124, 57]
  

• C₆H₉O₄
  Fragment probability: 1.00
  Fragment mass: 145.13290000000003
  Fragment main chain atoms: [16, 31, 36, 26, 51, 32]
  Fragment all atoms: [16, 102, 103, 31, 117, 48, 36, 122, 54, 26, 115, 8, 79, 80, 81, 51, 32, 118, 56]
  

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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