EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H29NO5S |
| Net Charge | 0 |
| Average Mass | 395.521 |
| Monoisotopic Mass | 395.17664 |
| SMILES | CC1=CC(=O)O[C@@H]2C[C@@H](CC[C@H](C)C=CCC1)O[C@@](O)(C1CSC(=O)N1)C2 |
| InChI | InChI=1S/C20H29NO5S/c1-13-5-3-4-6-14(2)9-18(22)25-16-10-15(8-7-13)26-20(24,11-16)17-12-27-19(23)21-17/h3,5,9,13,15-17,24H,4,6-8,10-12H2,1-2H3,(H,21,23)/t13-,15-,16-,17?,20-/m1/s1 |
| InChIKey | NSHPHXHGRHSMIK-WZPPNJTESA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[(1R,4S,13R,15R)-15-hydroxy-4,9-dimethyl-11-oxo-12,16-dioxabicyclo[11.3.1]heptadeca-5,9-dien-15-yl]-2-thiazolidinone (CHEBI:93819) is a macrolide (CHEBI:25106) |
| Manual Xrefs | Databases |
|---|---|
| LSM-4352 | LINCS |