EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:71323 - α-D-GlcpNAc-(1→6)-β-D-Galp-(1→4)-β-D-GlcpNAc
| Formula | C22H38N2O16 |
| Net Charge | 0 |
| Average Mass | 586.544 |
| Monoisotopic Mass | 586.22213 |
| SMILES | CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H](O)[C@H]2O)[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][a2122h-1a_1-5_2*NCC/3=O]/1-2-3/a4-b1_b6-c1 |
| InChI | InChI=1S/C22H38N2O16/c1-6(27)23-11-16(32)19(9(4-26)37-20(11)35)40-22-18(34)17(33)14(30)10(39-22)5-36-21-12(24-7(2)28)15(31)13(29)8(3-25)38-21/h8-22,25-26,29-35H,3-5H2,1-2H3,(H,23,27)(H,24,28)/t8-,9-,10-,11-,12-,13-,14+,15-,16-,17+,18-,19-,20-,21+,22+/m1/s1 |
| InChIKey | ILSGXQJDFRRBKD-BFOOFDDQSA-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-GlcpNAc-(1→6)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:71323) has role epitope (CHEBI:53000) |
| α-D-GlcpNAc-(1→6)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:71323) is a amino trisaccharide (CHEBI:59266) |
| α-D-GlcpNAc-(1→6)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:71323) is a glucosamine oligosaccharide (CHEBI:22485) |
| IUPAC Name |
|---|
| 2-acetamido-2-deoxy-α-D-glucopyranosyl-(1→6)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranose |
| Synonyms | Source |
|---|---|
| α-D-GlcNAc-(1→6)-β-D-Gal-(1→4)-β-D-GlcNAc | ChEBI |
| GlcNAcα1-6Galβ1-4GlcNAcβ | ChEBI |
| N-acetyl-α-D-glucosaminyl-(1→6)-β-D-galactosyl-(1→4)-N-acetyl-α-D-glucosamine | ChEBI |
| GlcNAca1-6Galb1-4GlcNAcb | ChEBI |
| β-D-glucopyranose, O-2-(acetylamino)-2-deoxy-α-D-glucopyranosyl-(1→6)-O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy- | ChEBI |
| Citations |
|---|