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CHEBI:51207 - penicillin O
| Formula | C13H18N2O4S2 |
| Net Charge | 0 |
| Average Mass | 330.431 |
| Monoisotopic Mass | 330.07080 |
| SMILES | [H][C@]12SC(C)(C)[C@H](C(=O)O)N1C(=O)[C@H]2NC(=O)CSCC=C |
| InChI | InChI=1S/C13H18N2O4S2/c1-4-5-20-6-7(16)14-8-10(17)15-9(12(18)19)13(2,3)21-11(8)15/h4,8-9,11H,1,5-6H2,2-3H3,(H,14,16)(H,18,19)/t8-,9+,11-/m1/s1 |
| InChIKey | QULKGELYPOJSLP-WCABBAIRSA-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: | Penicillium metabolite Any fungal metabolite produced during a metabolic reaction in Penicillium. 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) |
| penicillin O (CHEBI:51207) has role Penicillium metabolite (CHEBI:76964) |
| penicillin O (CHEBI:51207) is a penicillin (CHEBI:17334) |
| Incoming Relation(s) |
| allylmercaptomethylpenicilloyl group (CHEBI:63404) has functional parent penicillin O (CHEBI:51207) |
| IUPAC Name |
|---|
| 6β-[(prop-2-en-1-ylsulfanyl)acetamido]-2,2-dimethylpenam-3α-carboxylic acid |
| INNs | Source |
|---|---|
| almecillin | ChemIDplus |
| almecilline | ChemIDplus |
| almecillinum | ChemIDplus |
| almecilina | ChemIDplus |
| Synonyms | Source |
|---|---|
| (2S,5R,6R)-3,3-dimethyl-7-oxo-6-{[(prop-2-en-1-ylsulfanyl)acetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | IUPAC |
| (2S,5R,6R)-6-{[(allylsulfanyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | IUPAC |
| penicillin AT | ChemIDplus |
| allylthiomethylpenicillin | ChemIDplus |
| allylmercaptomethylpenicillin | ChemIDplus |
| allylmercaptomethylpenicillinic acid | ChemIDplus |
| Citations |
|---|