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

Submission ID: 0SG
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.40

List of identified carbohydrate fragments:

• C₆H₉O₆
  Fragment probability: 1.00
  Fragment mass: 177.13170000000005
  Fragment main chain atoms: [34, 35, 33, 31, 50, 36, 114, 41, 120, 113, 40, 119]
  Fragment all atoms: [34, 35, 115, 51, 33, 31, 112, 28, 108, 109, 49, 50, 36, 116, 48, 114, 41, 120, 113, 40, 119]
  

• C₆H₉N₁O₁
  Fragment probability: 0.42
  Fragment mass: 84.0963
  Fragment main chain atoms: [25, 30, 38]
  Fragment all atoms: [25, 103, 23, 100, 21, 96, 97, 30, 111, 29, 110, 27, 106, 107, 37, 38, 118]
  

• C₇H₁₁N₁O₂
  Fragment probability: 0.50
  Fragment mass: 128.14870000000002
  Fragment main chain atoms: [27, 29, 30, 25, 23]
  Fragment all atoms: [27, 106, 107, 48, 29, 110, 37, 30, 111, 38, 118, 25, 103, 23, 100, 21, 96, 97, 19, 92, 93]
  

• C₄H₆N₁O₂
  Fragment probability: 0.56
  Fragment mass: 114.12220000000002
  Fragment main chain atoms: [27, 29, 30, 25]
  Fragment all atoms: [27, 106, 107, 48, 29, 110, 37, 30, 111, 38, 118, 25, 103]
  

• C₆H₉O₁
  Fragment probability: 0.46
  Fragment mass: 70.0896
  Fragment main chain atoms: [23, 25]
  Fragment all atoms: [23, 100, 21, 96, 97, 19, 92, 93, 25, 103, 30, 111, 29, 110, 38, 118]
  

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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