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](O)[C@@H]1O[C@@H](O[C@H](CO)[C@@H]2O[C@@H](O[C@H](CO)[C@@H]3OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |
| WURCS | WURCS=2.0/2,3,2/[a2112h-1x_1-4][a2112h-1b_1-4]/1-2-2/a5-b1_b5-c1 |
| InChI | InChI=1S/C18H32O16/c19-1-4(22)13-8(24)11(27)17(33-13)31-6(3-21)15-9(25)12(28)18(34-15)30-5(2-20)14-7(23)10(26)16(29)32-14/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10-,11-,12-,13+,14+,15+,16?,17-,18-/m1/s1 |
| InChIKey | BXEARCKJAZWJTJ-IOZBCSTESA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| β-D-Galf-(1→5)-β-D-Galf-(1→5)-D-Galf (CHEBI:149179) is a galactotriose (CHEBI:146179) |
| IUPAC Names |
|---|
| Galf(b1-5)Galf(b1-5)Galf |
| β-D-galactofuranosyl-(1→5)-β-D-galactofuranosyl-(1→5)-D-galactofuranose |
| Synonyms | Source |
|---|---|
| β-D-galacto-hexofuranosyl-(1→5)-β-D-galacto-hexofuranosyl-(1→5)-D-galacto-hexofuranose | IUPAC |
| (3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5R)-5-[(1R)-1-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxyethyl]oxolane-2,3,4-triol | IUPAC |