EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:61832 - α-D-Gal-(1→4)-β-D-Gal-(1→4)-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](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[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][a2112h-1a_1-5]/1-2-3/a4-b1_b4-c1 |
| InChI | InChI=1S/C20H35NO16/c1-5(25)21-9-11(27)16(7(3-23)33-18(9)32)36-20-15(31)13(29)17(8(4-24)35-20)37-19-14(30)12(28)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 | QOITYCLKNIWNMP-JEUPZEFZSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| α-D-Gal-(1→4)-β-D-Gal-(1→4)-β-D-GlcNAc (CHEBI:61832) is a α-D-Gal-(1→4)-β-D-Gal-(1→4)-D-GlcNAc (CHEBI:60949) |
| IUPAC Name |
|---|
| α-D-galactopyranosyl-(1→4)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranose |
| Synonyms | Source |
|---|---|
| α-D-galactosyl-(1→4)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosamine | ChEBI |
| α-D-Galp-(1→4)-β-D-Galp-(1→4)-β-D-GlcpNAc | ChEBI |
| Gal-α1-4-Gal-β1-4-GlcNAc-β | ChEBI |
| Galα1-4Galβ1-4GlcNAcβ | ChEBI |
| P1-Tri | ChEBI |
| Galα(1→4)Galβ(1→4)GlcNAcβ | ChEBI |
| Citations |
|---|