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

Submission ID: EVN
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.71

List of identified carbohydrate fragments:

• C₆H₉O₅
  Fragment probability: 1.00
  Fragment mass: 161.13230000000004
  Fragment main chain atoms: [47, 55, 50, 27, 97, 64, 80, 184, 207]
  Fragment all atoms: [47, 55, 191, 105, 50, 187, 87, 27, 171, 4, 121, 122, 123, 97, 64, 198, 104, 80, 184, 207]
  

• C₆H₈O₆
  Fragment probability: 1.00
  Fragment mass: 176.12380000000002
  Fragment main chain atoms: [56, 45, 51, 35, 101, 65, 78, 182, 205]
  Fragment all atoms: [56, 192, 89, 45, 51, 188, 104, 35, 177, 20, 162, 163, 86, 101, 65, 199, 106, 78, 182, 205]
  

• C₅H₇O₅
  Fragment probability: 1.00
  Fragment mass: 147.10580000000004
  Fragment main chain atoms: [46, 63, 91, 21, 37, 52, 79, 183, 206]
  Fragment all atoms: [46, 63, 197, 106, 91, 21, 164, 165, 37, 179, 108, 52, 189, 109, 79, 183, 206]
  

• C₁₀H₁₄O₅
  Fragment probability: 1.00
  Fragment mass: 157.14360000000002
  Fragment main chain atoms: [68, 111, 69, 110, 59]
  Fragment all atoms: [68, 9, 57, 136, 137, 138, 193, 66, 200, 81, 208, 111, 69, 18, 158, 159, 33, 175, 107, 110, 59, 195, 30, 174, 7, 130, 131, 132, 98]
  

• C₆H₉O₄
  Fragment probability: 1.00
  Fragment mass: 145.13290000000003
  Fragment main chain atoms: [17, 34, 49, 26, 95, 38]
  Fragment all atoms: [17, 156, 157, 34, 176, 99, 49, 186, 103, 26, 170, 3, 118, 119, 120, 95, 38, 180, 102]
  

• C₇H₁₁N₁O₃
  Fragment probability: 1.00
  Fragment mass: 143.16
  Fragment main chain atoms: [19, 67, 58, 29, 96, 39]
  Fragment all atoms: [19, 160, 161, 67, 8, 133, 134, 135, 73, 58, 194, 90, 29, 173, 6, 127, 128, 129, 96, 39, 181, 99]
  

• C₆H₉O₅
  Fragment probability: 1.00
  Fragment mass: 161.13230000000001
  Fragment main chain atoms: [18, 33, 48, 28, 107, 69, 175, 76, 203]
  Fragment all atoms: [18, 158, 159, 33, 48, 185, 102, 28, 172, 5, 124, 125, 126, 107, 69, 111, 110, 175, 76, 203]
  

• C₇H₁₁O₅
  Fragment probability: 1.00
  Fragment mass: 159.15940000000003
  Fragment main chain atoms: [57, 68, 59, 30, 98, 66, 193, 81, 208]
  Fragment all atoms: [57, 68, 9, 136, 137, 138, 111, 59, 195, 110, 30, 174, 7, 130, 131, 132, 98, 66, 200, 105, 193, 81, 208]
  

• C₅H₅O₆
  Fragment probability: 1.00
  Fragment mass: 161.08940000000004
  Fragment main chain atoms: [22, 94, 70, 60, 53, 36]
  Fragment all atoms: [22, 166, 167, 94, 70, 108, 109, 60, 196, 93, 53, 190, 92, 36, 178, 100]
  

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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