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CHEBI:27446 - phenoxymethylpenicillin
| Formula | C16H18N2O5S |
| Net Charge | 0 |
| Average Mass | 350.396 |
| Monoisotopic Mass | 350.09364 |
| SMILES | [H][C@]12SC(C)(C)[C@H](C(=O)O)N1C(=O)[C@H]2NC(=O)COc1ccccc1 |
| InChI | InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1 |
| InChIKey | BPLBGHOLXOTWMN-MBNYWOFBSA-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) |
| phenoxymethylpenicillin (CHEBI:27446) is a penicillin (CHEBI:17334) |
| phenoxymethylpenicillin (CHEBI:27446) is a penicillin allergen (CHEBI:88187) |
| phenoxymethylpenicillin (CHEBI:27446) is conjugate acid of phenoxymethylpenicillin(1−) (CHEBI:51355) |
| Incoming Relation(s) |
| phenoxymethylpenicillin(1−) (CHEBI:51355) is conjugate base of phenoxymethylpenicillin (CHEBI:27446) |
| phenoxymethylpenicillanyl group (CHEBI:53706) is substituent group from phenoxymethylpenicillin (CHEBI:27446) |
| phenoxymethylpenicilloyl group (CHEBI:53703) is substituent group from phenoxymethylpenicillin (CHEBI:27446) |
| IUPAC Names |
|---|
| 2,2-dimethyl-6β-[(phenoxyacetyl)amino]penam-3α-carboxylic acid |
| 3,3-dimethyl-6β-[(phenoxyacetyl)amino]penam-2α-carboxylic acid (PIN) |
| INNs | Source |
|---|---|
| phenoxymethylpenicillin | KEGG DRUG |
| fenoximetilpenicilina | ChemIDplus |
| phénoxyméthylpénicilline | ChemIDplus |
| phenoxymethylpenicillinum | ChemIDplus |
| Synonyms | Source |
|---|---|
| Penicillin V | KEGG COMPOUND |
| (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | IUPAC |
| 6-phenoxyacetamidopenicillanic acid | ChemIDplus |
| Oracillin | ChemIDplus |
| penicillin phenoxymethyl | ChemIDplus |
| (2S,5R,6R)-3,3-DIMETHYL-7-OXO-6-(2-PHENOXYACETAMIDO)-4-THIA-1- AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID | PDBeChem |
| Brand Names | Source |
|---|---|
| V-Cillin | KEGG DRUG |
| Fenospen | ChemIDplus |
| Citations |
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