EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H28N4O6S2 |
| Net Charge | 0 |
| Average Mass | 472.589 |
| Monoisotopic Mass | 472.14503 |
| SMILES | [H][C@]12SCC(COC(C)=O)=C(C(=O)O)N1C(=O)[C@H]2NC(=O)CS/C(=N/C(C)C)NC(C)C |
| InChI | InChI=1S/C19H28N4O6S2/c1-9(2)20-19(21-10(3)4)31-8-13(25)22-14-16(26)23-15(18(27)28)12(6-29-11(5)24)7-30-17(14)23/h9-10,14,17H,6-8H2,1-5H3,(H,20,21)(H,22,25)(H,27,28)/t14-,17-/m1/s1 |
| InChIKey | JYXACOFERDBGGQ-RHSMWYFYSA-N |
| Roles Classification |
|---|
| Biological Roles: | drug allergen Any drug which causes the onset of an allergic reaction. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. |
| Application: | drug allergen Any drug which causes the onset of an allergic reaction. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| cefathiamidine (CHEBI:134698) is a cephalosporin (CHEBI:23066) |
| Manual Xrefs | Databases |
|---|---|
| 5168 | DrugCentral |
| Registry Numbers | Sources |
|---|---|
| CAS:33075-00-2 | DrugCentral |