EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C17H20N2O5S |
| Net Charge | 0 |
| Average Mass | 364.423 |
| Monoisotopic Mass | 364.10929 |
| SMILES | CC(Oc1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@@H]12 |
| InChI | InChI=1S/C17H20N2O5S/c1-9(24-10-7-5-4-6-8-10)13(20)18-11-14(21)19-12(16(22)23)17(2,3)25-15(11)19/h4-9,11-12,15H,1-3H3,(H,18,20)(H,22,23)/t9?,11-,12+,15+/m1/s1 |
| InChIKey | NONJJLVGHLVQQM-SKEOLLKRSA-N |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | allergen A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy. 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) |
| LSM-6410 (CHEBI:95141) is a penicillin (CHEBI:17334) |
| Manual Xrefs | Databases |
|---|---|
| LSM-6410 | LINCS |