BIRD-PRD_900130: Lewis A antigen, alpha anomer

Basic information

• Entry: Database: Biologically Interesting Molecule Reference Dictionary (BIRD) / ID: PRD_900130
• Status: Status: REF ONLY
• Name: Lewis A antigen, alpha anomer

BIRD information

• Type: Oligosaccharide / Antigen

Details

• oligosaccharide with branches

• Downloads: Molecular definition / Chemical definition

Chemical information

Composition

Formula: C₂₀H₃₅NO₁₅ / Formula weight: 529.49

• Others: Type: saccharide

History

• External links: UniChem / ChemSpider / Wikipedia search / Google search

Details

SMILES

• CACTVS 3.385: C[CH]1O[CH](O[CH]2[CH](CO)O[CH](O)[CH](NC(C)=O)[CH]2O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH](O)[CH](O)[CH]1O
• OpenEye OEToolkits 2.0.7: CC1C(C(C(C(O1)OC2C(OC(C(C2OC3C(C(C(C(O3)CO)O)O)O)NC(=O)C)O)CO)O)O)O

SMILES CANONICAL

• CACTVS 3.385: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H](O)[C@H](NC(C)=O)[C@H]2O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H] (O)[C@@H]1O
• OpenEye OEToolkits 2.0.7: C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=O )C)O)CO)O)O)O

SYSTEMATIC NAME

• OpenEye OEToolkits 2.0.7: ~{N}-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-4-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris (oxidanyl)oxan-2-yl]oxy-5-[(2~{R},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-oxan-3- yl]ethanamide #

PDB entries

Showing all 2 items

PDB-4rm0:
Crystal structure of Norovirus OIF P domain in complex with Lewis a trisaccharide

PDB-4wzl:
Crystal structure of P domain from norovirus strain Saga4 in complex with HBGA type Lea (triglycan)