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

Submission ID: Z0P
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.48

List of identified carbohydrate fragments:

• C₃H₆O₃
  Fragment probability: 1.00
  Fragment mass: 90.0777
  Fragment main chain atoms: [33, 35, 34]
  Fragment all atoms: [33, 107, 108, 38, 112, 35, 111, 42, 34, 109, 110, 41]
  

• C₆H₁₀O₄
  Fragment probability: 0.75
  Fragment mass: 116.11489999999999
  Fragment main chain atoms: [33, 35, 34, 41, 36]
  Fragment all atoms: [33, 107, 108, 38, 112, 35, 111, 42, 34, 109, 110, 41, 36, 31, 103, 104, 29, 99, 100, 39]
  

• C₆H₁₀O₄
  Fragment probability: 0.75
  Fragment mass: 116.11489999999999
  Fragment main chain atoms: [33, 35, 42, 37]
  Fragment all atoms: [33, 107, 108, 38, 112, 35, 111, 34, 109, 110, 41, 42, 37, 32, 105, 106, 30, 101, 102, 40]
  

• C₄H₆O₂
  Fragment probability: 0.62
  Fragment mass: 85.08109999999999
  Fragment main chain atoms: [34, 41, 36]
  Fragment all atoms: [34, 109, 110, 41, 36, 31, 103, 104, 29, 99, 100, 39]
  

• C₉H₁₄O₅
  Fragment probability: 0.67
  Fragment mass: 142.15210000000002
  Fragment main chain atoms: [36, 41, 34, 35, 42, 37]
  Fragment all atoms: [36, 31, 103, 104, 29, 99, 100, 39, 41, 34, 109, 110, 35, 111, 33, 107, 108, 38, 112, 42, 37, 32, 105, 106, 30, 101, 102, 40]
  

• C₆H₁₀
  Fragment probability: 0.42
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [13, 15]
  Fragment all atoms: [13, 69, 11, 65, 66, 9, 61, 62, 15, 72, 17, 75, 76, 18, 77, 78]
  

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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