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

Submission ID: GBW
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.67
• Compound probability: 0.22

List of identified carbohydrate fragments:

• C₄H₈N₁O₂
  Fragment probability: 0.67
  Fragment mass: 102.11149999999999
  Fragment main chain atoms: [19, 66, 20]
  Fragment all atoms: [19, 106, 107, 18, 104, 105, 56, 66, 20, 108, 109, 21, 110, 111, 67]
  

• C₆H₁₀N₂O₃
  Fragment probability: 0.57
  Fragment mass: 144.1481
  Fragment main chain atoms: [19, 66, 20, 21, 67, 30]
  Fragment all atoms: [19, 106, 107, 18, 104, 105, 56, 66, 20, 108, 109, 21, 110, 111, 67, 30, 124, 125, 44, 60, 54]
  

• C₄H₆N₁O₃
  Fragment probability: 0.67
  Fragment mass: 102.0884
  Fragment main chain atoms: [20, 21, 67, 30]
  Fragment all atoms: [20, 108, 109, 66, 21, 110, 111, 67, 30, 124, 125, 44, 60, 54]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 70.13250000000001
  Fragment main chain atoms: [2, 50]
  Fragment all atoms: [2, 72, 73, 74, 50]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 70.13250000000001
  Fragment main chain atoms: [3, 50]
  Fragment all atoms: [3, 75, 76, 77, 50]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 70.13250000000001
  Fragment main chain atoms: [4, 50]
  Fragment all atoms: [4, 78, 79, 80, 50]
  

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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