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

Submission ID: CLJ
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.42

List of identified carbohydrate fragments:

• C₆H₁₀O₅
  Fragment probability: 1.00
  Fragment mass: 162.14020000000005
  Fragment main chain atoms: [37, 40, 34, 22, 66, 45, 56, 120, 131, 53, 117, 128]
  Fragment all atoms: [37, 40, 121, 61, 34, 22, 111, 3, 80, 81, 82, 66, 45, 124, 68, 56, 120, 131, 53, 117, 128]
  

• C₆H₁₀N₁O₄
  Fragment probability: 1.00
  Fragment mass: 161.15540000000004
  Fragment main chain atoms: [21, 65, 44, 36, 35, 32, 55, 119, 130, 118, 54, 129]
  Fragment all atoms: [21, 110, 2, 77, 78, 79, 65, 44, 123, 67, 36, 35, 32, 116, 50, 55, 119, 130, 118, 54, 129]
  

• C₆H₁₀O₃
  Fragment probability: 1.00
  Fragment mass: 145.15600000000003
  Fragment main chain atoms: [25, 18, 28, 64, 23, 42, 51, 113, 127]
  Fragment all atoms: [25, 18, 106, 107, 28, 115, 69, 64, 23, 112, 4, 83, 84, 85, 42, 122, 51, 113, 127]
  

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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