EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:68476 - α-D-Gal-(1→3)-β-D-Gal-(1→3)-β-D-GlcNAc
| Formula | C20H35NO16 |
| Net Charge | 0 |
| Average Mass | 545.491 |
| Monoisotopic Mass | 545.19558 |
| SMILES | CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](CO)O[C@H]1O |
| WURCS | WURCS=2.0/3,3,2/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a2112h-1a_1-5]/1-2-3/a3-b1_b3-c1 |
| InChI | InChI=1S/C20H35NO16/c1-5(25)21-9-16(11(27)7(3-23)33-18(9)32)36-20-15(31)17(12(28)8(4-24)35-20)37-19-14(30)13(29)10(26)6(2-22)34-19/h6-20,22-24,26-32H,2-4H2,1H3,(H,21,25)/t6-,7-,8-,9-,10+,11-,12+,13+,14-,15-,16-,17+,18-,19-,20+/m1/s1 |
| InChIKey | CGMBNPCAOYSHCK-QKUIVJGGSA-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) |
| α-D-Gal-(1→3)-β-D-Gal-(1→3)-β-D-GlcNAc (CHEBI:68476) has role epitope (CHEBI:53000) |
| α-D-Gal-(1→3)-β-D-Gal-(1→3)-β-D-GlcNAc (CHEBI:68476) is a α-D-Gal-(1→3)-β-D-Gal-(1→3)-D-GlcNAc (CHEBI:63116) |
| IUPAC Name |
|---|
| α-D-galactopyranosyl-(1→3)-β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-glucopyranose |
| Synonyms | Source |
|---|---|
| α-D-galactosyl-(1→3)-β-D-galactosyl-(1→3)-N-acetyl-β-D-glucosamine | ChEBI |
| α-D-Galp-(1→3)-β-D-Galp-(1→3)-β-D-GlcNAc | ChEBI |
| αGal1-3βGal1-3βGlcNAc | ChEBI |
| Galα1-3Galβ1-3GlcNAcβ | ChEBI |
| Gala1-3Galb1-3GlcNAcb | ChEBI |
| O-α-D-galactopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→3)-2-(acetylamino)-2-deoxy-β-D-glucopyranose | ChEBI |
| Citations |
|---|