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

Submission ID: WZ3
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.94

List of identified carbohydrate fragments:

• C₆H₉O₆
  Fragment probability: 1.00
  Fragment mass: 177.13170000000005
  Fragment main chain atoms: [15, 16, 10, 6, 32, 17, 28, 55, 68, 23, 50, 63]
  Fragment all atoms: [15, 16, 56, 34, 10, 6, 46, 3, 41, 42, 30, 32, 17, 57, 29, 28, 55, 68, 23, 50, 63]
  

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [14, 11, 8, 5, 31, 19, 54, 27, 67, 24, 51, 64, 21, 48, 61]
  Fragment all atoms: [14, 11, 8, 5, 45, 2, 39, 40, 20, 60, 31, 19, 59, 34, 54, 27, 67, 24, 51, 64, 21, 48, 61]
  

• C₆H₁₀O₅
  Fragment probability: 1.00
  Fragment mass: 162.14020000000005
  Fragment main chain atoms: [13, 12, 9, 7, 33, 18, 26, 53, 66, 25, 52, 65, 22, 49, 62]
  Fragment all atoms: [13, 12, 9, 7, 47, 4, 43, 44, 33, 18, 58, 30, 26, 53, 66, 25, 52, 65, 22, 49, 62]
  

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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