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

Submission ID: ZPA
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.51

List of identified carbohydrate fragments:

• C₅H₉O₅
  Fragment probability: 1.00
  Fragment mass: 149.12160000000003
  Fragment main chain atoms: [23, 19, 14, 11, 38, 26, 36, 68, 78, 64, 32, 74, 61, 30, 73]
  Fragment all atoms: [23, 19, 14, 11, 57, 58, 38, 26, 70, 39, 36, 68, 78, 64, 32, 74, 61, 30, 73]
  

• C₆H₁₀N₁O₅
  Fragment probability: 1.00
  Fragment mass: 177.15480000000005
  Fragment main chain atoms: [22, 21, 20, 15, 40, 24, 35, 67, 77, 34, 66, 76, 33, 65, 75]
  Fragment all atoms: [22, 21, 20, 15, 62, 12, 59, 60, 39, 40, 24, 69, 28, 35, 67, 77, 34, 66, 76, 33, 65, 75]
  

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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