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

Submission ID: YR4
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.81
• Compound probability: 0.44

List of identified carbohydrate fragments:

• C₄H₉O₃
  Fragment probability: 0.81
  Fragment mass: 105.1121
  Fragment main chain atoms: [15, 14, 24, 18]
  Fragment all atoms: [15, 66, 67, 30, 76, 14, 64, 65, 24, 74, 34, 18, 70, 71, 31, 77]
  

• C₆H₁₃O₂
  Fragment probability: 0.62
  Fragment mass: 117.16570000000002
  Fragment main chain atoms: [19, 27, 28, 5]
  Fragment all atoms: [19, 72, 73, 33, 27, 75, 32, 78, 28, 6, 7, 50, 51, 52, 53, 54, 55, 5, 47, 48, 49]
  

• C₃H₄O₂
  Fragment probability: 0.67
  Fragment mass: 117.16570000000002
  Fragment main chain atoms: [19, 27, 28]
  Fragment all atoms: [19, 72, 73, 33, 27, 75, 32, 78, 28]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 70.13250000000001
  Fragment main chain atoms: [5, 28]
  Fragment all atoms: [5, 47, 48, 49, 28]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 70.13250000000001
  Fragment main chain atoms: [6, 28]
  Fragment all atoms: [6, 50, 51, 52, 28]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 70.13250000000001
  Fragment main chain atoms: [7, 28]
  Fragment all atoms: [7, 53, 54, 55, 28]
  

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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