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](OC[C@@H](O)[C@@H]2O[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |
| WURCS | WURCS=2.0/2,3,2/[a2112h-1b_1-4][a2112h-1b_1-5]/1-2-2/a3-b1_a6-c1 |
| InChI | InChI=1S/C18H32O16/c19-1-5-7(22)9(24)11(26)17(31-5)30-3-4(21)14-15(13(28)16(29)33-14)34-18-12(27)10(25)8(23)6(2-20)32-18/h4-29H,1-3H2/t4-,5-,6-,7+,8+,9+,10+,11-,12-,13-,14+,15-,16-,17-,18+/m1/s1 |
| InChIKey | KJOMNHSOHSIFNK-WVJXGWKOSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| β-D-Galp-(1→3)-[β-D-Galp-(1→6)]-β-D-Galf (CHEBI:147201) is a galactotriose (CHEBI:146179) |
| IUPAC Names |
|---|
| Gal(b1-3)[Gal(b1-6)]b-Galf |
| β-D-galactopyranosyl-(1→3)-[β-D-galactopyranosyl-(1→6)]-β-D-galactofuranose |
| Synonyms | Source |
|---|---|
| β-D-galacto-hexopyranosyl-(1→3)-[β-D-galacto-hexopyranosyl-(1→6)]-β-D-galacto-hexofuranose | IUPAC |
| (2R,3R,4S,5R,6R)-2-[(2R)-2-[(2S,3R,4R,5R)-4,5-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]-2-hydroxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | IUPAC |