EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H27NO11 |
| Net Charge | 0 |
| Average Mass | 409.388 |
| Monoisotopic Mass | 409.15841 |
| SMILES | CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@@H](C(=O)O)[C@@H](C)[C@H](O)[C@H]2O)[C@H]1NC(C)=O |
| InChI | InChI=1S/C16H27NO11/c1-5-9(20)11(22)16(27-12(5)14(23)24)28-13-8(17-6(2)19)15(25-3)26-7(4-18)10(13)21/h5,7-13,15-16,18,20-22H,4H2,1-3H3,(H,17,19)(H,23,24)/t5-,7+,8+,9-,10-,11+,12+,13+,15+,16-/m0/s1 |
| InChIKey | CQQZQIXOOJJXET-XRJMVXHISA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| dermatan L-iduronic acid (CHEBI:169933) is a N-acyl-hexosamine (CHEBI:21656) |
| Manual Xrefs | Databases |
|---|---|
| HMDB0060470 | HMDB |