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

Submission ID: RU6
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.30

List of identified carbohydrate fragments:

• C₇H₁₂O₄
  Fragment probability: 1.00
  Fragment mass: 144.1679
  Fragment main chain atoms: [25, 49, 44, 34, 65, 39, 146, 59, 150]
  Fragment all atoms: [25, 129, 130, 49, 8, 91, 92, 93, 62, 44, 34, 139, 7, 88, 89, 90, 65, 39, 142, 67, 146, 59, 150]
  

• C₆H₁₀N₁O₃
  Fragment probability: 1.00
  Fragment mass: 144.14810000000003
  Fragment main chain atoms: [41, 37, 23, 30, 64, 47, 143, 58, 149]
  Fragment all atoms: [41, 37, 140, 54, 23, 125, 126, 30, 135, 3, 76, 77, 78, 64, 47, 148, 68, 143, 58, 149]
  

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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