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CHEBI:18208 - benzylpenicillin
| Formula | C16H18N2O4S |
| Net Charge | 0 |
| Average Mass | 334.397 |
| Monoisotopic Mass | 334.09873 |
| SMILES | [H][C@]12SC(C)(C)[C@H](C(=O)O)N1C(=O)[C@H]2NC(=O)Cc1ccccc1 |
| InChI | InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1 |
| InChIKey | JGSARLDLIJGVTE-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: | epitope The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds. antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. drug allergen Any drug which causes the onset of an allergic reaction. 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. |
| Applications: | cardiovascular drug A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume. ophthalmology drug Any compound used for the treatment of eye conditions or eye diseases. drug allergen Any drug which causes the onset of an allergic reaction. antibacterial drug A drug used to treat or prevent bacterial infections. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| benzylpenicillin (CHEBI:18208) has role antibacterial agent (CHEBI:33282) |
| benzylpenicillin (CHEBI:18208) has role antibacterial drug (CHEBI:36047) |
| benzylpenicillin (CHEBI:18208) has role cardiovascular drug (CHEBI:35554) |
| benzylpenicillin (CHEBI:18208) has role drug allergen (CHEBI:88188) |
| benzylpenicillin (CHEBI:18208) has role epitope (CHEBI:53000) |
| benzylpenicillin (CHEBI:18208) has role ophthalmology drug (CHEBI:66981) |
| benzylpenicillin (CHEBI:18208) is a penicillin (CHEBI:17334) |
| benzylpenicillin (CHEBI:18208) is a penicillin allergen (CHEBI:88187) |
| benzylpenicillin (CHEBI:18208) is conjugate acid of benzylpenicillin(1−) (CHEBI:51354) |
| Incoming Relation(s) |
| benzylpenicilloyl polylysine (CHEBI:59297) has functional parent benzylpenicillin (CHEBI:18208) |
| benzylpenicilloyl-L-lysine (CHEBI:139367) has functional parent benzylpenicillin (CHEBI:18208) |
| benzylpenicilloyl-benzylamine (CHEBI:42719) has functional parent benzylpenicillin (CHEBI:18208) |
| benzylpenicilloyl-butylamine (CHEBI:55472) has functional parent benzylpenicillin (CHEBI:18208) |
| benzylpenicilloyl-cysteine (CHEBI:60178) has functional parent benzylpenicillin (CHEBI:18208) |
| benzylpenicilloyl-octa-L-lysine (CHEBI:133956) has functional parent benzylpenicillin (CHEBI:18208) |
| benzylpenilloic acid (CHEBI:139245) has functional parent benzylpenicillin (CHEBI:18208) |
| DON-15-penicillin G (CHEBI:149460) has functional parent benzylpenicillin (CHEBI:18208) |
| penamecillin (CHEBI:131733) has functional parent benzylpenicillin (CHEBI:18208) |
| benzylpenicillin(1−) (CHEBI:51354) is conjugate base of benzylpenicillin (CHEBI:18208) |
| benzylpenamaldate group (CHEBI:139234) is substituent group from benzylpenicillin (CHEBI:18208) |
| benzylpenamidyl group (CHEBI:139225) is substituent group from benzylpenicillin (CHEBI:18208) |
| benzylpenicanyl group (CHEBI:139229) is substituent group from benzylpenicillin (CHEBI:18208) |
| benzylpenicillanyl group (CHEBI:53600) is substituent group from benzylpenicillin (CHEBI:18208) |
| benzylpenicillenyl group (CHEBI:139227) is substituent group from benzylpenicillin (CHEBI:18208) |
| benzylpenicilloyl group (CHEBI:53702) is substituent group from benzylpenicillin (CHEBI:18208) |
| IUPAC Name |
|---|
| 2,2-dimethyl-6β-(phenylacetamido)penam-3α-carboxylic acid |
| INNs | Source |
|---|---|
| bencilpenicilina | ChemIDplus |
| benzylpenicillin | KEGG DRUG |
| benzylpénicilline | ChemIDplus |
| benzylpenicillinum | ChemIDplus |
| Synonyms | Source |
|---|---|
| (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | ChEBI |
| 6-(2-phenylacetamido)penicillanic acid | ChemIDplus |
| bensylpenicillin | ChEBI |
| benzyl benicillin | ChEBI |
| Benzyl penicillin | ChEMBL |
| Benzylpenicillin | KEGG COMPOUND |
| Brand Name | Source |
|---|---|
| Crystapen g | ChEMBL |
| Manual Xrefs | Databases |
|---|---|
| 2082 | DrugCentral |
| Benzylpenicillin | Wikipedia |
| C05551 | KEGG COMPOUND |
| D02336 | KEGG DRUG |
| DB01053 | DrugBank |
| HMDB0015186 | HMDB |
| LSM-3229 | LINCS |
| PNN | PDBeChem |
| US3024169 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:44740 | Reaxys |
| Gmelin:781913 | Gmelin |
| CAS:61-33-6 | KEGG COMPOUND |
| CAS:61-33-6 | ChemIDplus |
| Citations |
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