EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H26N2O6S3 |
| Net Charge | 0 |
| Average Mass | 510.659 |
| Monoisotopic Mass | 510.09530 |
| SMILES | C/C1=C\[C@@H](O)C(=O)/C=C/C=C\c2csc(n2)[C@@H](C)NC(=O)C[C@@]2(CC1)S(=O)SC(=O)[C@]2(C)O |
| InChI | InChI=1S/C22H26N2O6S3/c1-13-8-9-22(21(3,29)20(28)32-33(22)30)11-18(27)23-14(2)19-24-15(12-31-19)6-4-5-7-16(25)17(26)10-13/h4-7,10,12,14,17,26,29H,8-9,11H2,1-3H3,(H,23,27)/b6-4-,7-5+,13-10+/t14-,17-,21+,22-,33?/m1/s1 |
| InChIKey | ZHTRILQJTPJGNK-FYBAATNNSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Leinamycin (CHEBI:80015) is a dithiolanes (CHEBI:39192) |