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

Submission ID: 47N
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [20, 11, 7, 10, 5, 3, 18, 35, 42, 16, 31, 40, 14, 29, 38]
  Fragment all atoms: [20, 11, 7, 10, 34, 22, 5, 3, 27, 1, 23, 24, 13, 37, 18, 35, 42, 16, 31, 40, 14, 29, 38]
  

• C₆H₉O₅
  Fragment probability: 1.00
  Fragment mass: 177.13170000000005
  Fragment main chain atoms: [8, 9, 6, 4, 21, 12, 32, 17, 41, 15, 30, 39]
  Fragment all atoms: [8, 9, 33, 19, 6, 4, 28, 2, 25, 26, 21, 12, 36, 22, 32, 17, 41, 15, 30, 39]
  

• C₆H₉O₄
  Fragment probability: 1.00
  Fragment mass: 132.11430000000001
  Fragment main chain atoms: [2, 19, 9, 6, 4]
  Fragment all atoms: [2, 25, 26, 19, 9, 33, 8, 32, 12, 36, 17, 41, 6, 30, 15, 39, 4, 28, 21]
  

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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