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CHEBI:133503 - β-D-GalpNAc-(1→4)-[α-Neup5Gc-(2→3)]-β-D-Galp
| Formula | C25H42N2O19 |
| Net Charge | 0 |
| Average Mass | 674.606 |
| Monoisotopic Mass | 674.23818 |
| SMILES | [H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O |
| WURCS | WURCS=2.0/3,3,2/[a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O]/1-2-3/a3-b2_a4-c1 |
| InChI | InChI=1S/C25H42N2O19/c1-7(31)26-13-9(33)3-25(24(40)41,45-20(13)15(35)10(34)4-28)46-21-18(38)22(39)42-12(6-30)19(21)44-23-14(27-8(2)32)17(37)16(36)11(5-29)43-23/h9-23,28-30,33-39H,3-6H2,1-2H3,(H,26,31)(H,27,32)(H,40,41)/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18+,19-,20+,21+,22+,23-,25-/m0/s1 |
| InChIKey | KWKKUWAYFCZFPG-WZWAJIPQSA-N |
| Roles Classification |
|---|
| Biological Role: | epitope The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| β-D-GalpNAc-(1→4)-[α-Neup5Gc-(2→3)]-β-D-Galp (CHEBI:133503) has role epitope (CHEBI:53000) |
| β-D-GalpNAc-(1→4)-[α-Neup5Gc-(2→3)]-β-D-Galp (CHEBI:133503) is a amino trisaccharide (CHEBI:59266) |
| Incoming Relation(s) |
| β-D-GalpNAc-(1→4)-[α-Neup5Gc-(2→3)]-β-D-Galp-(1→4)-R group (CHEBI:142521) is substituent group from β-D-GalpNAc-(1→4)-[α-Neup5Gc-(2→3)]-β-D-Galp (CHEBI:133503) |
| IUPAC Name |
|---|
| 2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)-[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)]-β-D-galactopyranose |
| Synonyms | Source |
|---|---|
| N-acetyl-β-D-galactosaminyl-(1→4)-[5-glycoloyl-α-neuraminyl-(2→3)]-β-D-galactose | ChEBI |
| β-D-GalNAc-(1→4)-[α-Neu5Gc-(2→3)]-β-D-Gal | ChEBI |
| GalNAcβ1-4[NeuGcα2-3]Gal | ChEBI |
| Citations |
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