EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:72467 - α-Neup5Gc-(2→3)-β-D-Galp-(1→4)-β-D-Glcp
| Formula | C23H39NO20 |
| Net Charge | 0 |
| Average Mass | 649.552 |
| Monoisotopic Mass | 649.20654 |
| SMILES | [H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO |
| WURCS | WURCS=2.0/3,3,2/[a2122h-1b_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCCO/3=O]/1-2-3/a4-b1_b3-c2 |
| InChI | InChI=1S/C23H39NO20/c25-2-7(30)12(32)18-11(24-10(31)5-28)6(29)1-23(43-18,22(38)39)44-19-13(33)8(3-26)41-21(16(19)36)42-17-9(4-27)40-20(37)15(35)14(17)34/h6-9,11-21,25-30,32-37H,1-5H2,(H,24,31)(H,38,39)/t6-,7+,8+,9+,11+,12+,13-,14+,15+,16+,17+,18+,19-,20+,21-,23-/m0/s1 |
| InChIKey | FGYWXADXUBZTCC-RRDLSPBXSA-N |
| Roles Classification |
|---|
| Biological Roles: | 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. mammalian metabolite Any animal metabolite produced during a metabolic reaction in mammals. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| α-Neup5Gc-(2→3)-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:72467) has role epitope (CHEBI:53000) |
| α-Neup5Gc-(2→3)-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:72467) is a α-Neup5Gc-(2→3)-β-D-Galp-(1→4)-D-Glcp (CHEBI:62273) |
| IUPAC Name |
|---|
| 3,5-dideoxy-5-(glycoloylamino)-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)β--D-glucopyranose |
| Synonyms | Source |
|---|---|
| α-Neu5Gc-(2→3)-β-D-Gal-(1→4)-β-D-Glc | ChEBI |
| α-N-glycoloylneuraminyl-(2→3)-β-D-galactosyl-(1→4)-β-D-glucose | ChEBI |
| Neu5Gcα2-3Galβ1-4Glcβ | ChEBI |
| Neu5Gca2-3Galb1-4Glcb | ChEBI |
| Citations |
|---|