EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| 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]2[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]2O)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O |
| WURCS | WURCS=2.0/3,3,2/[a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a2122h-1b_1-5]/1-2-3/a3-b1_b6-c1 |
| InChI | InChI=1S/C20H35NO16/c1-5(24)21-9-13(28)11(26)8(4-33-20-15(30)14(29)10(25)6(2-22)35-20)36-19(9)37-17-12(27)7(3-23)34-18(32)16(17)31/h6-20,22-23,25-32H,2-4H2,1H3,(H,21,24)/t6-,7-,8-,9-,10-,11-,12+,13-,14+,15-,16-,17+,18-,19+,20-/m1/s1 |
| InChIKey | RCIUSINUWSXECE-DTUVRTRGSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| β-D-Glcp-(1→6)-β-D-GlcpNAc-(1→3)-β-D-Galp (CHEBI:61826) is a amino trisaccharide (CHEBI:59266) |
| β-D-Glcp-(1→6)-β-D-GlcpNAc-(1→3)-β-D-Galp (CHEBI:61826) is a glucosamine oligosaccharide (CHEBI:22485) |
| IUPAC Name |
|---|
| β-D-glucopyranosyl-(1→6)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranose |
| Citations |
|---|