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

Submission ID: TGU
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₆H₉O₇
  Fragment probability: 1.00
  Fragment mass: 193.1311000000001
  Fragment main chain atoms: [3, 5, 16, 33, 11, 8, 21, 40, 55, 23, 42, 57, 32, 50, 63]
  Fragment all atoms: [3, 5, 16, 33, 11, 48, 14, 28, 29, 61, 8, 45, 34, 21, 40, 55, 23, 42, 57, 32, 50, 63]
  

• C₆H₈O₇
  Fragment probability: 1.00
  Fragment mass: 192.12320000000005
  Fragment main chain atoms: [4, 7, 18, 37, 12, 9, 22, 41, 56, 25, 44, 59]
  Fragment all atoms: [4, 7, 18, 52, 34, 37, 12, 49, 15, 30, 31, 62, 9, 46, 35, 22, 41, 56, 25, 44, 59]
  

• C₆H₉O₇
  Fragment probability: 1.00
  Fragment mass: 193.13110000000006
  Fragment main chain atoms: [2, 10, 36, 17, 6, 1, 20, 39, 54, 24, 43, 58, 19, 38, 53]
  Fragment all atoms: [2, 10, 47, 13, 26, 27, 60, 36, 17, 51, 35, 6, 1, 20, 39, 54, 24, 43, 58, 19, 38, 53]
  

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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