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

Submission ID: 9LH
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.69

List of identified carbohydrate fragments:

• C₈H₁₄N₁O₆
  Fragment probability: 1.00
  Fragment mass: 220.19930000000002
  Fragment main chain atoms: [26, 30, 29, 23, 56, 36, 20, 110, 3, 39, 44, 102, 50, 117, 101, 49, 116]
  Fragment all atoms: [26, 98, 30, 29, 23, 97, 18, 92, 93, 43, 113, 56, 36, 108, 58, 20, 110, 3, 65, 66, 67, 39, 44, 102, 50, 117, 101, 49, 116]
  

• C₁₁H₁₅N₁O₅
  Fragment probability: 1.00
  Fragment mass: 214.19480000000004
  Fragment main chain atoms: [31, 28, 22, 55, 37, 27, 24, 111, 14, 46, 40, 51, 103, 118, 48, 100, 115]
  Fragment all atoms: [31, 28, 22, 96, 17, 90, 91, 21, 95, 55, 37, 109, 58, 27, 99, 24, 111, 14, 87, 12, 84, 10, 80, 81, 46, 40, 51, 103, 118, 48, 100, 115]
  

• C₆H₁₀N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [32, 33, 35, 57, 34]
  Fragment all atoms: [32, 104, 52, 119, 33, 105, 53, 120, 35, 107, 42, 57, 34, 106, 21, 95, 17, 90, 91, 45, 114]
  

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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