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

Submission ID: AGW
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.75

List of identified carbohydrate fragments:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [17, 16, 15, 12, 38, 23, 32, 64, 77, 31, 63, 76, 30, 62, 75]
  Fragment all atoms: [17, 16, 15, 12, 59, 6, 50, 51, 25, 70, 38, 23, 69, 41, 32, 64, 77, 31, 63, 76, 30, 62, 75]
  

• C₅H₉O₅
  Fragment probability: 1.00
  Fragment mass: 149.12160000000003
  Fragment main chain atoms: [14, 11, 8, 37, 22, 19, 29, 61, 74, 28, 58, 73, 34, 68, 78]
  Fragment all atoms: [14, 11, 8, 54, 55, 37, 22, 19, 66, 43, 29, 61, 74, 28, 58, 73, 34, 68, 78]
  

• C₆H₉O₆
  Fragment probability: 1.00
  Fragment mass: 161.13230000000001
  Fragment main chain atoms: [18, 13, 40, 24, 20]
  Fragment all atoms: [18, 65, 42, 13, 60, 7, 52, 53, 26, 71, 40, 24, 9, 56, 57, 27, 72, 41, 20, 67, 39]
  

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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