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

Submission ID: SCR
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:

• C₆H₇O₆
  Fragment probability: 1.00
  Fragment mass: 175.11590000000004
  Fragment main chain atoms: [40, 11, 9, 8, 6, 4]
  Fragment all atoms: [40, 11, 69, 42, 9, 67, 46, 8, 66, 45, 6, 64, 43, 4, 62, 1, 56, 57, 37]
  

• C₆H₇O₆
  Fragment probability: 1.00
  Fragment mass: 159.1165
  Fragment main chain atoms: [10, 7, 5, 41, 12]
  Fragment all atoms: [10, 68, 47, 7, 65, 44, 5, 63, 2, 58, 59, 38, 41, 12, 3, 60, 61, 39, 42]
  

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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