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

Submission ID: JS5
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.81

List of identified carbohydrate fragments:

• C₆H₈N₂O₃
  Fragment probability: 1.00
  Fragment mass: 160.1706
  Fragment main chain atoms: [25, 14, 6, 13, 20, 27]
  Fragment all atoms: [25, 88, 50, 14, 77, 34, 6, 63, 64, 13, 76, 33, 20, 83, 41, 109, 27, 90, 52]
  

• C₆H₁₀N₁O₅
  Fragment probability: 1.00
  Fragment mass: 178.16270000000006
  Fragment main chain atoms: [19, 24, 22, 16, 48, 30, 45, 87, 113, 43, 85, 111]
  Fragment all atoms: [19, 82, 36, 24, 22, 16, 79, 10, 71, 72, 39, 107, 48, 30, 93, 50, 45, 87, 113, 43, 85, 111]
  

• C₅H₇O₅
  Fragment probability: 1.00
  Fragment mass: 147.10580000000002
  Fragment main chain atoms: [26, 17, 49, 31, 28]
  Fragment all atoms: [26, 89, 51, 17, 80, 11, 73, 74, 40, 108, 49, 31, 94, 52, 28, 91, 46]
  

• C₆H₉N₂O₄
  Fragment probability: 1.00
  Fragment mass: 177.17790000000005
  Fragment main chain atoms: [18, 23, 21, 15, 47, 29, 44, 86, 112, 42, 84, 110]
  Fragment all atoms: [18, 81, 35, 23, 21, 15, 78, 7, 65, 66, 32, 47, 29, 92, 51, 44, 86, 112, 42, 84, 110]
  

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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