EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:143796 - Mercapturic conjugation of Boscalid
| Formula | C23H19Cl2N3O4S |
| Net Charge | 0 |
| Average Mass | 504.395 |
| Monoisotopic Mass | 503.04733 |
| SMILES | CC(=O)NC(CSc1ccc(NC(=O)c2cccnc2Cl)c(-c2ccc(Cl)cc2)c1)C(=O)O |
| InChI | InChI=1S/C23H19Cl2N3O4S/c1-13(29)27-20(23(31)32)12-33-16-8-9-19(18(11-16)14-4-6-15(24)7-5-14)28-22(30)17-3-2-10-26-21(17)25/h2-11,20H,12H2,1H3,(H,27,29)(H,28,30)(H,31,32) |
| InChIKey | OPTGHDGSLDKIHX-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Mercapturic conjugation of Boscalid (CHEBI:143796) has functional parent boscalid (CHEBI:81822) |
| Mercapturic conjugation of Boscalid (CHEBI:143796) is a biphenyls (CHEBI:22888) |
| Mercapturic conjugation of Boscalid (CHEBI:143796) is a monochlorobenzenes (CHEBI:83403) |
| Mercapturic conjugation of Boscalid (CHEBI:143796) is a pyridinecarboxamide (CHEBI:25529) |