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

Submission ID: U10
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.38
• Compound probability: 0.76

List of identified carbohydrate fragments:

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 55.098099999999995
  Fragment main chain atoms: [1, 44]
  Fragment all atoms: [1, 64, 65, 66, 44]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 55.098099999999995
  Fragment main chain atoms: [2, 44]
  Fragment all atoms: [2, 67, 68, 69, 44]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [3, 45]
  Fragment all atoms: [3, 70, 71, 72, 45]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [4, 46]
  Fragment all atoms: [4, 73, 74, 75, 46]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [5, 47]
  Fragment all atoms: [5, 76, 77, 78, 47]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [6, 48]
  Fragment all atoms: [6, 79, 80, 81, 48]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [7, 49]
  Fragment all atoms: [7, 82, 83, 84, 49]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [8, 50]
  Fragment all atoms: [8, 85, 86, 87, 50]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [9, 51]
  Fragment all atoms: [9, 88, 89, 90, 51]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [10, 52]
  Fragment all atoms: [10, 91, 92, 93, 52]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [11, 53]
  Fragment all atoms: [11, 94, 95, 96, 53]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 69.1246
  Fragment main chain atoms: [24, 44]
  Fragment all atoms: [24, 124, 15, 106, 107, 25, 125, 126, 44]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 68.1167
  Fragment main chain atoms: [26, 45]
  Fragment all atoms: [26, 127, 16, 108, 109, 27, 128, 129, 45]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 68.1167
  Fragment main chain atoms: [28, 46]
  Fragment all atoms: [28, 130, 17, 110, 111, 29, 131, 132, 46]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 68.1167
  Fragment main chain atoms: [30, 47]
  Fragment all atoms: [30, 133, 18, 112, 113, 31, 134, 135, 47]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 68.1167
  Fragment main chain atoms: [32, 48]
  Fragment all atoms: [32, 136, 19, 114, 115, 33, 137, 138, 48]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 68.1167
  Fragment main chain atoms: [34, 49]
  Fragment all atoms: [34, 139, 20, 116, 117, 35, 140, 141, 49]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 68.1167
  Fragment main chain atoms: [36, 50]
  Fragment all atoms: [36, 142, 21, 118, 119, 37, 143, 144, 50]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 68.1167
  Fragment main chain atoms: [38, 51]
  Fragment all atoms: [38, 145, 22, 120, 121, 39, 146, 147, 51]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 68.1167
  Fragment main chain atoms: [40, 52]
  Fragment all atoms: [40, 148, 23, 122, 123, 41, 149, 150, 52]
  

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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