EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H32O16 |
| Net Charge | 0 |
| Average Mass | 504.438 |
| Monoisotopic Mass | 504.16903 |
| SMILES | OC[C@H]1O[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)OC(O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O |
| WURCS | WURCS=2.0/3,3,2/[a2112h-1x_1-5][a2112h-1a_1-5][a2112h-1b_1-5]/1-2-3/a3-b1_b4-c1 |
| InChI | InChI=1S/C18H32O16/c19-1-4-7(22)9(24)11(26)17(31-4)33-14-6(3-21)32-18(12(27)10(14)25)34-15-8(23)5(2-20)30-16(29)13(15)28/h4-29H,1-3H2/t4-,5-,6-,7+,8+,9+,10-,11-,12-,13-,14+,15+,16?,17+,18-/m1/s1 |
| InChIKey | NLCKNAHSPSUVER-DNGOPNPHSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| β-D-Galp-(1→4)-α-D-Galp-(1→3)-D-Galp (CHEBI:148482) has functional parent α-D-galactosyl-(1→3)-D-galactose (CHEBI:53651) |
| β-D-Galp-(1→4)-α-D-Galp-(1→3)-D-Galp (CHEBI:148482) has functional parent β-D-Galp-(1→4)-α-D-Galp (CHEBI:36227) |
| β-D-Galp-(1→4)-α-D-Galp-(1→3)-D-Galp (CHEBI:148482) is a galactotriose (CHEBI:146179) |
| Incoming Relation(s) |
| β-D-Galp-(1→4)-α-D-Galp-(1→3)-β-D-Galp (CHEBI:149159) is a β-D-Galp-(1→4)-α-D-Galp-(1→3)-D-Galp (CHEBI:148482) |
| IUPAC Names |
|---|
| Gal(b1-4)Gal(a1-3)Gal |
| β-D-galactopyranosyl-(1→4)-α-D-galactopyranosyl-(1→3)-D-galactopyranose |
| Synonyms | Source |
|---|---|
| β-D-galacto-hexopyranosyl-(1→4)-α-D-galacto-hexopyranosyl-(1→3)-D-galacto-hexopyranose | IUPAC |
| (3R,4S,5S,6R)-4-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol | IUPAC |