EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H16N2O5S |
| Net Charge | 0 |
| Average Mass | 312.347 |
| Monoisotopic Mass | 312.07799 |
| SMILES | [H][C@@]1([C@H](C)O)C(=O)N2C(C(=O)O)=C(S/C=C/NC(C)=O)C[C@@]21[H] |
| InChI | InChI=1S/C13H16N2O5S/c1-6(16)10-8-5-9(21-4-3-14-7(2)17)11(13(19)20)15(8)12(10)18/h3-4,6,8,10,16H,5H2,1-2H3,(H,14,17)(H,19,20)/b4-3+/t6-,8+,10-/m0/s1 |
| InChIKey | PRPNUZWHFGSGRV-NJFHWYBASA-N |
| Roles Classification |
|---|
| Biological Roles: | antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Epithienamycin B (CHEBI:81059) is a carbapenems (CHEBI:46633) |
| Manual Xrefs | Databases |
|---|---|
| C17396 | KEGG COMPOUND |