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

Submission ID: L1P
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.98
• Compound probability: 0.24

List of identified carbohydrate fragments:

• C₉H₁₅O₃
  Fragment probability: 0.58
  Fragment mass: 145.17579999999998
  Fragment main chain atoms: [31, 47, 33, 43, 48, 32]
  Fragment all atoms: [31, 121, 122, 29, 117, 118, 41, 135, 47, 33, 125, 126, 43, 137, 34, 127, 128, 49, 48, 32, 123, 124, 30, 119, 120, 42, 136]
  

• C₄H₇O₁
  Fragment probability: 0.56
  Fragment mass: 87.09689999999999
  Fragment main chain atoms: [31, 47, 33]
  Fragment all atoms: [31, 121, 122, 29, 117, 118, 41, 135, 47, 33, 125, 126]
  

• C₆H₁₀O₃
  Fragment probability: 0.67
  Fragment mass: 117.12279999999998
  Fragment main chain atoms: [31, 47, 33, 43, 34]
  Fragment all atoms: [31, 121, 122, 29, 117, 118, 41, 135, 47, 33, 125, 126, 43, 137, 48, 34, 127, 128, 49]
  

• C₆H₁₀O₃
  Fragment probability: 0.67
  Fragment mass: 117.12279999999998
  Fragment main chain atoms: [32, 48, 43, 33]
  Fragment all atoms: [32, 123, 124, 30, 119, 120, 42, 136, 48, 43, 137, 34, 127, 128, 49, 33, 125, 126, 47]
  

• C₃H₅O₃
  Fragment probability: 0.98
  Fragment mass: 89.06979999999999
  Fragment main chain atoms: [33, 43, 34]
  Fragment all atoms: [33, 125, 126, 47, 43, 137, 48, 34, 127, 128, 49]
  

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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