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

Submission ID: SFA
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.39
• Compound probability: 0.14

List of identified carbohydrate fragments:

• C₇H₉O₁
  Fragment probability: 0.39
  Fragment mass: 127.11769999999997
  Fragment main chain atoms: [36, 50, 77]
  Fragment all atoms: [36, 21, 5, 123, 15, 115, 91, 92, 93, 50, 156, 26, 129, 130, 17, 117, 77]
  

• C₄H₆
  Fragment probability: 0.38
  Fragment mass: 53.0823
  Fragment main chain atoms: [12, 15]
  Fragment all atoms: [12, 111, 14, 113, 114, 20, 121, 122, 15, 115]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 51.0665
  Fragment main chain atoms: [15, 21]
  Fragment all atoms: [15, 115, 12, 111, 14, 113, 114, 21, 123]
  

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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