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

Submission ID: LPY
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.63

List of identified carbohydrate fragments:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [20, 18, 17, 19, 21, 22]
  Fragment all atoms: [20, 69, 28, 76, 18, 67, 26, 74, 17, 66, 25, 73, 19, 68, 27, 75, 21, 70, 29, 77, 22, 71, 34]
  

• C₃H₆O₃
  Fragment probability: 1.00
  Fragment mass: 90.0777
  Fragment main chain atoms: [13, 15, 14]
  Fragment all atoms: [13, 61, 62, 32, 15, 65, 23, 72, 14, 63, 64, 33]
  

• C₄H₆O₂
  Fragment probability: 0.62
  Fragment mass: 86.089
  Fragment main chain atoms: [13, 32, 16]
  Fragment all atoms: [13, 61, 62, 32, 16, 12, 59, 60, 11, 57, 58, 24]
  

• C₆H₁₀O₄
  Fragment probability: 0.75
  Fragment mass: 116.11489999999999
  Fragment main chain atoms: [14, 15, 13, 32, 16]
  Fragment all atoms: [14, 63, 64, 33, 15, 65, 23, 72, 13, 61, 62, 32, 16, 12, 59, 60, 11, 57, 58, 24]
  

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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