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

Submission ID: GCY
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.37

List of identified carbohydrate fragments:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [47, 46, 45, 43, 57, 48, 143, 55, 150, 142, 54, 149, 141, 53, 148]
  Fragment all atoms: [47, 46, 45, 43, 140, 39, 134, 135, 50, 146, 57, 48, 144, 56, 143, 55, 150, 142, 54, 149, 141, 53, 148]
  

• C₆H₉N₁O₁
  Fragment probability: 0.42
  Fragment mass: 84.0963
  Fragment main chain atoms: [37, 42, 51]
  Fragment all atoms: [37, 131, 35, 128, 33, 124, 125, 42, 139, 41, 138, 40, 136, 137, 49, 51, 147]
  

• C₇H₁₁N₁O₂
  Fragment probability: 0.50
  Fragment mass: 128.14870000000002
  Fragment main chain atoms: [40, 41, 42, 37, 35]
  Fragment all atoms: [40, 136, 137, 56, 41, 138, 49, 42, 139, 51, 147, 37, 131, 35, 128, 33, 124, 125, 31, 120, 121]
  

• C₄H₆N₁O₂
  Fragment probability: 0.56
  Fragment mass: 114.12220000000002
  Fragment main chain atoms: [40, 41, 42, 37]
  Fragment all atoms: [40, 136, 137, 56, 41, 138, 49, 42, 139, 51, 147, 37, 131]
  

• C₆H₉O₁
  Fragment probability: 0.46
  Fragment mass: 70.0896
  Fragment main chain atoms: [35, 37]
  Fragment all atoms: [35, 128, 33, 124, 125, 31, 120, 121, 37, 131, 42, 139, 41, 138, 51, 147]
  

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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