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

Submission ID: SOD
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.61

List of identified carbohydrate fragments:

• C₁₅H₁₅O₄
  Fragment probability: 1.00
  Fragment mass: 203.2135
  Fragment main chain atoms: [27, 9, 18, 28, 29]
  Fragment all atoms: [27, 12, 22, 62, 31, 71, 8, 20, 54, 55, 70, 9, 56, 57, 18, 68, 6, 51, 21, 28, 10, 13, 58, 59, 63, 64, 35, 29, 26, 14, 65, 32, 33, 75]
  

• C₁₈H₂₀O₄
  Fragment probability: 1.00
  Fragment mass: 230.2586
  Fragment main chain atoms: [27, 22, 20, 10, 28, 29]
  Fragment all atoms: [27, 9, 12, 56, 57, 18, 68, 62, 31, 22, 71, 8, 54, 55, 23, 72, 20, 70, 16, 66, 4, 45, 46, 47, 10, 58, 59, 28, 13, 63, 64, 35, 6, 51, 29, 21, 26, 14, 65, 32, 33, 75]
  

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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