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

Submission ID: HYG
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.94

List of identified carbohydrate fragments:

• C₆H₉O₆
  Fragment probability: 1.00
  Fragment mass: 177.13170000000002
  Fragment main chain atoms: [17, 16, 11, 8, 32, 19, 28, 52, 70]
  Fragment all atoms: [17, 58, 36, 16, 57, 35, 11, 8, 49, 4, 44, 45, 25, 67, 32, 19, 60, 33, 28, 52, 70]
  

• C₈H₉O₇
  Fragment probability: 1.00
  Fragment mass: 175.11590000000004
  Fragment main chain atoms: [17, 36, 20, 35, 16]
  Fragment all atoms: [17, 58, 19, 60, 32, 33, 36, 20, 18, 59, 13, 54, 31, 73, 34, 35, 16, 57, 11, 52, 8, 49, 28, 70]
  

• C₇H₁₀N₁O₆
  Fragment probability: 1.00
  Fragment mass: 192.14630000000005
  Fragment main chain atoms: [18, 13, 12, 14, 34, 20, 31, 59, 73, 30, 54, 72, 29, 53, 71]
  Fragment all atoms: [18, 13, 12, 14, 55, 6, 47, 3, 42, 43, 22, 34, 20, 36, 35, 31, 59, 73, 30, 54, 72, 29, 53, 71]
  

• C₆H₉N₂O₃
  Fragment probability: 1.00
  Fragment mass: 160.1706
  Fragment main chain atoms: [2, 5, 9, 15, 10, 7]
  Fragment all atoms: [2, 40, 41, 5, 46, 21, 9, 50, 26, 68, 15, 56, 33, 10, 51, 27, 69, 7, 48, 23]
  

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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