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](CO)O[C@@H](OC[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O |
| WURCS | WURCS=2.0/1,3,2/[a2112h-1b_1-5]/1-1-1/a6-b1_b3-c1 |
| InChI | InChI=1S/C18H32O16/c19-1-4-7(21)11(25)13(27)18(33-4)34-15-9(23)5(2-20)32-17(14(15)28)30-3-6-8(22)10(24)12(26)16(29)31-6/h4-29H,1-3H2/t4-,5-,6-,7+,8+,9+,10+,11+,12-,13-,14-,15+,16-,17-,18+/m1/s1 |
| InChIKey | GEMKLMOVLYWXIB-FKZYWASWSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R,3R,4S,5R,6R)-6-[[(2R,3R,4S,5S,6R)-3,5-Dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol (CHEBI:153516) is a oligosaccharide (CHEBI:50699) |
| Synonyms | Source |
|---|---|
| Gal(b1-3)Gal(b1-6)b-Gal | SUBMITTER |
| beta-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->6)-beta-D-galacto-hexopyranose | SUBMITTER |