EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:52429 - propicillin
| Formula | C18H22N2O5S |
| Net Charge | 0 |
| Average Mass | 378.450 |
| Monoisotopic Mass | 378.12494 |
| SMILES | [H][C@]12SC(C)(C)[C@H](C(=O)O)N1C(=O)[C@H]2NC(=O)C(CC)Oc1ccccc1 |
| InChI | InChI=1S/C18H22N2O5S/c1-4-11(25-10-8-6-5-7-9-10)14(21)19-12-15(22)20-13(17(23)24)18(2,3)26-16(12)20/h5-9,11-13,16H,4H2,1-3H3,(H,19,21)(H,23,24)/t11?,12-,13+,16-/m1/s1 |
| InChIKey | HOCWPKXKMNXINF-XQERAMJGSA-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) |
| propicillin (CHEBI:52429) is a penicillin (CHEBI:17334) |
| propicillin (CHEBI:52429) is conjugate acid of propicillin(1−) (CHEBI:52435) |
| Incoming Relation(s) |
| propicillin(1−) (CHEBI:52435) is conjugate base of propicillin (CHEBI:52429) |
| IUPAC Name |
|---|
| 6β-(2-phenoxybutanamido)-2,2-dimethylpenam-3α-carboxylic acid |
| INNs | Source |
|---|---|
| propicilina | ChemIDplus |
| propicillin | ChemIDplus |
| propicillinum | ChEBI |
| Synonyms | Source |
|---|---|
| (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxybutanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | IUPAC |
| propicilline | ChemIDplus |