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

Submission ID: EU8
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.52

List of identified carbohydrate fragments:

• C₆H₈O₆
  Fragment probability: 1.00
  Fragment mass: 176.12380000000007
  Fragment main chain atoms: [49, 17, 8, 13, 10, 5, 77, 21, 90]
  Fragment all atoms: [49, 17, 86, 47, 8, 13, 82, 55, 10, 79, 52, 5, 74, 2, 69, 70, 46, 77, 21, 90]
  

• C₆H₇O₆
  Fragment probability: 1.00
  Fragment mass: 175.11590000000004
  Fragment main chain atoms: [50, 18, 15, 14, 11, 6]
  Fragment all atoms: [50, 18, 87, 58, 15, 84, 57, 14, 83, 56, 11, 80, 53, 6, 75, 3, 71, 72, 47]
  

• C₆H₉O₆
  Fragment probability: 1.00
  Fragment mass: 177.13170000000002
  Fragment main chain atoms: [9, 12, 7, 16, 48, 4, 20, 76, 89]
  Fragment all atoms: [9, 78, 51, 12, 81, 54, 7, 16, 85, 46, 48, 4, 73, 1, 67, 68, 19, 88, 20, 76, 89]
  

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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