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CHEBI:52427 - phenethicillin
| Formula | C17H20N2O5S |
| Net Charge | 0 |
| Average Mass | 364.423 |
| Monoisotopic Mass | 364.10929 |
| SMILES | [H][C@]12SC(C)(C)[C@H](C(=O)O)N1C(=O)[C@H]2NC(=O)C(C)Oc1ccccc1 |
| 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-JHXYUMNGSA-N |
| Wikipedia |
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| Roles Classification |
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| 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). 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. 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. 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. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| phenethicillin (CHEBI:52427) is a penicillin (CHEBI:17334) |
| phenethicillin (CHEBI:52427) is a penicillin allergen (CHEBI:88187) |
| phenethicillin (CHEBI:52427) is conjugate acid of phenethicillin(1−) (CHEBI:52428) |
| Incoming Relation(s) |
| phenethicillin(1−) (CHEBI:52428) is conjugate base of phenethicillin (CHEBI:52427) |
| phenethicilloyl group (CHEBI:58982) is substituent group from phenethicillin (CHEBI:52427) |
| IUPAC Name |
|---|
| 6β-(2-phenoxypropanamido)-2,2-dimethylpenam-3α-carboxylic acid |
| INNs | Source |
|---|---|
| Feneticilina | ChemIDplus |
| Pheneticilline | ChemIDplus |
| Pheneticillinum | ChemIDplus |
| Synonyms | Source |
|---|---|
| Pheneticillin | ChemIDplus |
| (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxypropanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | IUPAC |
| phenoxypropylpenicillin | ChEBI |
| penicillin B | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| Pheneticillin | Wikipedia |
| LSM-15176 | LINCS |
| 2124 | DrugCentral |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1091754 | Reaxys |
| CAS:147-55-7 | ChemIDplus |
| Citations |
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