EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:149071 - β-D-Galp-(1→3)-β-D-GalpNAc-(1→3)-α-D-Galp
| 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](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
| WURCS | WURCS=2.0/3,3,2/[a2112h-1a_1-5][a2112h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-3/a3-b1_b3-c1 |
| InChI | InChI=1S/C20H35NO16/c1-5(25)21-9-16(36-20-14(30)13(29)10(26)6(2-22)35-20)11(27)8(4-24)34-19(9)37-17-12(28)7(3-23)33-18(32)15(17)31/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 | CJOPBLPCFAQCNO-RJVNOACHSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| β-D-Galp-(1→3)-β-D-GalpNAc-(1→3)-α-D-Galp (CHEBI:149071) has functional parent β-D-Galp-(1→3)-β-D-GalpNAc (CHEBI:61243) |
| β-D-Galp-(1→3)-β-D-GalpNAc-(1→3)-α-D-Galp (CHEBI:149071) is a acetamides (CHEBI:22160) |
| β-D-Galp-(1→3)-β-D-GalpNAc-(1→3)-α-D-Galp (CHEBI:149071) is a amino trisaccharide (CHEBI:59266) |
| Incoming Relation(s) |
| α-L-Fucp-(1→2)-β-D-Galp-(1→3)-β-D-GalpNAc-(1→3)-α-D-Galp (CHEBI:65225) has functional parent β-D-Galp-(1→3)-β-D-GalpNAc-(1→3)-α-D-Galp (CHEBI:149071) |
| IUPAC Names |
|---|
| Gal(b1-3)GalNAc(b1-3)a-Gal |
| β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→3)-α-D-galactopyranose |
| Synonyms | Source |
|---|---|
| β-D-galacto-hexopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-galacto-hexopyranosyl-(1→3)-α-D-galacto-hexopyranose | IUPAC |
| N-[(2S,3R,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide | IUPAC |