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

Submission ID: GMM
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.39

List of identified carbohydrate fragments:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [62, 63, 64, 66, 74, 61, 68, 192, 197, 69, 193, 198, 70, 194, 199, 72, 195, 200]
  Fragment all atoms: [62, 63, 64, 66, 74, 61, 191, 58, 187, 188, 73, 68, 192, 197, 69, 193, 198, 70, 194, 199, 72, 195, 200]
  

• C₅H₆O₂
  Fragment probability: 0.50
  Fragment mass: 84.0732
  Fragment main chain atoms: [58, 73, 65]
  Fragment all atoms: [58, 187, 188, 73, 65, 59, 189, 56, 60, 183, 184, 190, 71]
  

• C₆H₁₀
  Fragment probability: 0.42
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [24, 25]
  Fragment all atoms: [24, 123, 23, 121, 122, 22, 119, 120, 25, 124, 26, 125, 126, 27, 127, 128]
  

• C₆H₁₀
  Fragment probability: 0.42
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [34, 35]
  Fragment all atoms: [34, 141, 33, 139, 140, 32, 137, 138, 35, 142, 36, 143, 144, 37, 145, 146]
  

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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