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

Submission ID: OBN
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.78

List of identified carbohydrate fragments:

• C₆H₁₁O₅
  Fragment probability: 1.00
  Fragment mass: 163.14810000000006
  Fragment main chain atoms: [40, 25, 24, 23, 22, 13, 36, 76, 83, 35, 75, 82, 34, 74, 81]
  Fragment all atoms: [40, 25, 77, 41, 24, 23, 22, 13, 67, 1, 42, 43, 44, 36, 76, 83, 35, 75, 82, 34, 74, 81]
  

• C₁₆H₂₄O₅
  Fragment probability: 1.00
  Fragment mass: 195.23440000000005
  Fragment main chain atoms: [5, 3, 17, 21, 28, 27]
  Fragment all atoms: [5, 52, 53, 3, 48, 49, 17, 70, 29, 26, 6, 54, 55, 38, 85, 21, 73, 18, 71, 10, 61, 62, 31, 79, 28, 19, 12, 72, 8, 57, 58, 32, 80, 65, 66, 30, 78, 27, 9, 59, 60, 15, 68, 37, 84]
  

• C₁₂H₁₈O₄
  Fragment probability: 1.00
  Fragment mass: 169.19720000000004
  Fragment main chain atoms: [8, 19, 28, 27, 9, 15]
  Fragment all atoms: [8, 57, 58, 19, 72, 32, 80, 28, 21, 12, 73, 17, 18, 70, 71, 65, 66, 30, 78, 27, 5, 52, 53, 3, 48, 49, 37, 84, 9, 59, 60, 15, 68, 41]
  

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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