EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:3393 - carbenicillin
| Formula | C17H18N2O6S |
| Net Charge | 0 |
| Average Mass | 378.406 |
| Monoisotopic Mass | 378.08856 |
| SMILES | [H][C@]12SC(C)(C)[C@H](C(=O)O)N1C(=O)[C@H]2NC(=O)C(C(=O)O)c1ccccc1 |
| InChI | InChI=1S/C17H18N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/t9?,10-,11+,14-/m1/s1 |
| InChIKey | FPPNZSSZRUTDAP-UWFZAAFLSA-N |
| Wikipedia |
|---|
| 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). 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) |
| carbenicillin (CHEBI:3393) has role antibacterial drug (CHEBI:36047) |
| carbenicillin (CHEBI:3393) is a penicillin (CHEBI:17334) |
| carbenicillin (CHEBI:3393) is a penicillin allergen (CHEBI:88187) |
| carbenicillin (CHEBI:3393) is conjugate acid of carbenicillin(2−) (CHEBI:51897) |
| Incoming Relation(s) |
| carfecillin (CHEBI:3414) has functional parent carbenicillin (CHEBI:3393) |
| carbenicillin(2−) (CHEBI:51897) is conjugate base of carbenicillin (CHEBI:3393) |
| carbenicilloyl group (CHEBI:55468) is substituent group from carbenicillin (CHEBI:3393) |
| IUPAC Name |
|---|
| 6β-(2-carboxy-2-phenylacetamido)-2,2-dimethylpenam-3α-carboxylic acid |
| INNs | Source |
|---|---|
| carbenicillin | KEGG DRUG |
| carbenicilina | DrugBank |
| carbenicilline | DrugBank |
| carbenicillinum | DrugBank |
| Synonyms | Source |
|---|---|
| (2S,5R,6R)-6-{[carboxy(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | IUPAC |
| carboxybenzylpenicillin | DrugBank |
| α-phenyl(carboxymethylpenicillin) | ChemIDplus |
| α-carboxybenzylpencillin | ChemIDplus |
| N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-2-phenylmalonamic acid | ChemIDplus |
| CBPC | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C06869 | KEGG COMPOUND |
| D07614 | KEGG DRUG |
| DB00578 | DrugBank |
| US3142673 | Patent |
| Carbenicillin | Wikipedia |
| HMDB0014717 | HMDB |
| 492 | DrugCentral |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1230663 | Reaxys |
| CAS:4697-36-3 | KEGG COMPOUND |
| CAS:4697-36-3 | ChemIDplus |
| Citations |
|---|