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

Submission ID: RMY
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.91

List of identified carbohydrate fragments:

• C₁₀H₁₄N₁O₇
  Fragment probability: 1.00
  Fragment mass: 231.20210000000003
  Fragment main chain atoms: [4, 8, 11, 15, 32, 19, 7, 59, 2, 23, 20, 24, 49, 62]
  Fragment all atoms: [4, 43, 44, 8, 11, 52, 15, 56, 12, 53, 9, 50, 26, 64, 32, 19, 18, 29, 30, 67, 33, 7, 59, 2, 38, 39, 40, 23, 20, 24, 49, 62]
  

• C₆H₁₀O₅
  Fragment probability: 1.00
  Fragment mass: 162.14020000000005
  Fragment main chain atoms: [14, 16, 13, 10, 31, 17, 55, 28, 66, 27, 54, 65]
  Fragment all atoms: [14, 16, 57, 33, 13, 10, 51, 6, 47, 48, 22, 61, 31, 17, 58, 55, 28, 66, 27, 54, 65]
  

• C₂H₅O₂
  Fragment probability: 0.97
  Fragment mass: 74.0783
  Fragment main chain atoms: [5, 9]
  Fragment all atoms: [5, 45, 46, 21, 60, 9, 50, 25, 63]
  

• C₃H₇O₃
  Fragment probability: 0.98
  Fragment mass: 103.09630000000001
  Fragment main chain atoms: [5, 9, 12]
  Fragment all atoms: [5, 45, 46, 21, 60, 9, 50, 25, 63, 12, 53, 26, 64]
  

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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