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

Submission ID: BV1
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.30

List of identified carbohydrate fragments:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [46, 44, 40, 36, 80, 50, 70, 138, 152, 68, 136, 150, 64, 134, 148]
  Fragment all atoms: [46, 44, 40, 36, 132, 28, 129, 130, 62, 146, 80, 50, 140, 78, 70, 138, 152, 68, 136, 150, 64, 134, 148]
  

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [45, 43, 39, 35, 79, 49, 69, 137, 151, 67, 135, 149, 63, 133, 147]
  Fragment all atoms: [45, 43, 39, 35, 131, 27, 127, 128, 61, 145, 79, 49, 139, 77, 69, 137, 151, 67, 135, 149, 63, 133, 147]
  

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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