EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H29N3O3S |
| Net Charge | 0 |
| Average Mass | 415.559 |
| Monoisotopic Mass | 415.19296 |
| SMILES | CCCCCOCC1CC(CC(C)=NNc2nc(-c3ccccc3)cs2)C(=O)O1 |
| InChI | InChI=1S/C22H29N3O3S/c1-3-4-8-11-27-14-19-13-18(21(26)28-19)12-16(2)24-25-22-23-20(15-29-22)17-9-6-5-7-10-17/h5-7,9-10,15,18-19H,3-4,8,11-14H2,1-2H3,(H,23,25) |
| InChIKey | DVUVPUFNMDMYJB-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-(pentoxymethyl)-3-[2-[(4-phenyl-2-thiazolyl)hydrazinylidene]propyl]-2-oxolanone (CHEBI:121844) is a thiazoles (CHEBI:48901) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33287 | LINCS |