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

Submission ID: 18Y
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.72

List of identified carbohydrate fragments:

• C₈H₁₃O₅
  Fragment probability: 1.00
  Fragment mass: 157.14360000000002
  Fragment main chain atoms: [12, 19, 31, 15, 43, 20, 36, 79, 84]
  Fragment all atoms: [12, 76, 77, 19, 31, 14, 2, 51, 52, 53, 34, 39, 87, 15, 78, 3, 54, 55, 56, 43, 20, 80, 44, 36, 79, 84]
  

• C₈H₇O₇
  Fragment probability: 1.00
  Fragment mass: 186.1187
  Fragment main chain atoms: [28, 47, 33, 30, 32]
  Fragment all atoms: [28, 82, 27, 81, 21, 46, 47, 33, 29, 83, 41, 42, 30, 4, 57, 58, 59, 38, 86, 32, 44, 45]
  

• C₁₄H₁₀O₅
  Fragment probability: 1.00
  Fragment mass: 163.1069
  Fragment main chain atoms: [27, 28, 32, 45, 26, 21]
  Fragment all atoms: [27, 81, 46, 28, 82, 47, 32, 30, 4, 33, 57, 58, 59, 38, 86, 44, 45, 26, 23, 17, 24, 21, 13, 11, 1, 75, 48, 49, 50]
  

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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