EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H35N3O5S |
| Net Charge | 0 |
| Average Mass | 453.605 |
| Monoisotopic Mass | 453.22974 |
| SMILES | CC=Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)NCCC)[C@H](C)CN([C@H](C)CO)S2(=O)=O |
| InChI | InChI=1S/C22H35N3O5S/c1-6-8-18-9-10-21-19(12-18)30-20(14-24(5)22(27)23-11-7-2)16(3)13-25(17(4)15-26)31(21,28)29/h6,8-10,12,16-17,20,26H,7,11,13-15H2,1-5H3,(H,23,27)/t16-,17-,20+/m1/s1 |
| InChIKey | BVEGZLWFKAUDHP-HLIPFELVSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-17646 (CHEBI:106285) is a styrenes (CHEBI:26799) |
| Manual Xrefs | Databases |
|---|---|
| LSM-17646 | LINCS |