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

Submission ID: TAJ
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.79

List of identified carbohydrate fragments:

• C₁₁H₁₄O₄
  Fragment probability: 1.00
  Fragment mass: 137.15550000000002
  Fragment main chain atoms: [33, 29, 48, 34, 32]
  Fragment all atoms: [33, 8, 70, 71, 72, 42, 93, 29, 41, 48, 34, 10, 75, 76, 11, 77, 43, 94, 32, 7, 21, 67, 68, 69, 84, 18, 24, 81, 86]
  

• C₁₂H₁₃O₃
  Fragment probability: 1.00
  Fragment mass: 182.1729
  Fragment main chain atoms: [9, 16, 25, 27, 30, 15]
  Fragment all atoms: [9, 73, 74, 16, 79, 47, 25, 87, 27, 89, 45, 30, 5, 20, 61, 62, 63, 83, 17, 26, 80, 88, 15, 78, 22, 23, 85, 38]
  

• C₁₇H₂₀O₄
  Fragment probability: 1.00
  Fragment mass: 209.21800000000005
  Fragment main chain atoms: [31, 28, 26, 20, 17, 19]
  Fragment all atoms: [31, 6, 18, 64, 65, 66, 81, 11, 21, 77, 84, 28, 90, 46, 26, 88, 44, 20, 83, 30, 5, 15, 27, 61, 62, 63, 78, 89, 17, 80, 23, 85, 22, 39, 91, 19, 82, 24, 86, 40, 92]
  

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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