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

Submission ID: W12
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.98
• Compound probability: 0.42

List of identified carbohydrate fragments:

• C₃H₇O₃
  Fragment probability: 0.98
  Fragment mass: 91.0856
  Fragment main chain atoms: [18, 23, 19]
  Fragment all atoms: [18, 65, 66, 29, 73, 23, 71, 30, 74, 19, 67, 68, 32]
  

• C₆H₁₃O₂
  Fragment probability: 0.62
  Fragment mass: 117.16570000000002
  Fragment main chain atoms: [20, 26, 27, 3]
  Fragment all atoms: [20, 69, 70, 33, 26, 72, 31, 75, 27, 4, 5, 43, 44, 45, 46, 47, 48, 3, 40, 41, 42]
  

• C₃H₄O₂
  Fragment probability: 0.67
  Fragment mass: 117.16570000000002
  Fragment main chain atoms: [20, 26, 27]
  Fragment all atoms: [20, 69, 70, 33, 26, 72, 31, 75, 27]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 70.13250000000001
  Fragment main chain atoms: [3, 27]
  Fragment all atoms: [3, 40, 41, 42, 27]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 70.13250000000001
  Fragment main chain atoms: [4, 27]
  Fragment all atoms: [4, 43, 44, 45, 27]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 70.13250000000001
  Fragment main chain atoms: [5, 27]
  Fragment all atoms: [5, 46, 47, 48, 27]
  

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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