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]2O[C@H](O[C@@H]3[C@@H](O)[C@@H](O)O[C@H](CO)[C@@H]3O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |
| WURCS | WURCS=2.0/1,3,2/[a2112h-1a_1-5]/1-1-1/a3-b1_b6-c1 |
| InChI | InChI=1S/C18H32O16/c19-1-4-7(21)10(24)12(26)17(32-4)30-3-6-8(22)11(25)13(27)18(33-6)34-15-9(23)5(2-20)31-16(29)14(15)28/h4-29H,1-3H2/t4-,5-,6-,7+,8+,9+,10+,11+,12-,13-,14-,15+,16+,17+,18-/m1/s1 |
| InChIKey | QNWHPAQNSLSGBO-FBHSJDSMSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| α-D-Galp-(1→6)-α-D-Galp-(1→3)-α-D-Galp (CHEBI:147204) is a galactotriose (CHEBI:146179) |
| IUPAC Names |
|---|
| Gal(a1-6)Gal(a1-3)a-Gal |
| α-D-galactopyranosyl-(1→6)-α-D-galactopyranosyl-(1→3)-α-D-galactopyranose |
| Synonyms | Source |
|---|---|
| α-D-galacto-hexopyranosyl-(1→6)-α-D-galacto-hexopyranosyl-(1→3)-α-D-galacto-hexopyranose | IUPAC |
| (2S,3R,4S,5S,6R)-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxane-2,3,5-triol | IUPAC |