EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H25N6O5S2 |
| Net Charge | +1 |
| Average Mass | 481.580 |
| Monoisotopic Mass | 481.13224 |
| SMILES | CON=C(C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(C[N+]3(C)CCCC3)CS[C@H]12)c1csc(N)n1 |
| InChI | InChI=1S/C19H24N6O5S2/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29)/p+1/t13-,17+/m0/s1 |
| InChIKey | HVFLCNVBZFFHBT-SUMWQHHRSA-O |
| 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) |
| LSM-5686 (CHEBI:94672) is a cephalosporin (CHEBI:23066) |
| LSM-5686 (CHEBI:94672) is a quaternary nitrogen compound (CHEBI:26469) |
| Manual Xrefs | Databases |
|---|---|
| LSM-5686 | LINCS |