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CHEBI:6827 - methicillin
| Formula | C17H20N2O6S |
| Net Charge | 0 |
| Average Mass | 380.422 |
| Monoisotopic Mass | 380.10421 |
| SMILES | [H][C@]12SC(C)(C)[C@H](C(=O)O)N1C(=O)[C@H]2NC(=O)c1c(OC)cccc1OC |
| InChI | InChI=1S/C17H20N2O6S/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23)/t11-,12+,15-/m1/s1 |
| InChIKey | RJQXTJLFIWVMTO-TYNCELHUSA-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: | antibacterial drug A drug used to treat or prevent bacterial infections. 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. |
| Application: | antibacterial drug A drug used to treat or prevent bacterial infections. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| methicillin (CHEBI:6827) has role antibacterial drug (CHEBI:36047) |
| methicillin (CHEBI:6827) is a penicillin (CHEBI:17334) |
| methicillin (CHEBI:6827) is a penicillin allergen (CHEBI:88187) |
| methicillin (CHEBI:6827) is conjugate acid of methicillin(1−) (CHEBI:52064) |
| Incoming Relation(s) |
| dimethoxyphenylpenicilloyl group (CHEBI:63412) has functional parent methicillin (CHEBI:6827) |
| methicillin(1−) (CHEBI:52064) is conjugate base of methicillin (CHEBI:6827) |
| IUPAC Name |
|---|
| 6β-(2,6-dimethoxybenzamido)-2,2-dimethylpenam-3α-carboxylic acid |
| INNs | Source |
|---|---|
| meticillin | ChemIDplus |
| meticilina | ChemIDplus |
| meticilline | ChemIDplus |
| meticillinum | ChemIDplus |
| Synonyms | Source |
|---|---|
| Methicillin | KEGG COMPOUND |
| (2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | IUPAC |
| 6β-(2,6-dimethoxybenzamido)penicillanic acid | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C07177 | KEGG COMPOUND |
| DB01603 | DrugBank |
| Meticillin | Wikipedia |
| 1744 | DrugCentral |
| Registry Numbers | Sources |
|---|---|
| Reaxys:966227 | Reaxys |
| CAS:61-32-5 | KEGG COMPOUND |
| CAS:61-32-5 | ChemIDplus |
| Citations |
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