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CHEBI:15838 - (7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanic acid
| Formula | C16H18N2O9S |
| Net Charge | 0 |
| Average Mass | 414.392 |
| Monoisotopic Mass | 414.07330 |
| SMILES | [H][C@]12SCC(COC(C)=O)=C(C(=O)O)N1C(=O)[C@H]2NC(=O)CCCC(=O)C(=O)O |
| InChI | InChI=1S/C16H18N2O9S/c1-7(19)27-5-8-6-28-14-11(13(22)18(14)12(8)16(25)26)17-10(21)4-2-3-9(20)15(23)24/h11,14H,2-6H2,1H3,(H,17,21)(H,23,24)(H,25,26)/t11-,14-/m1/s1 |
| InChIKey | UKRMDFPJXIVYCZ-BXUZGUMPSA-N |
| Roles Classification |
|---|
| Biological Roles: | drug allergen Any drug which causes the onset of an allergic reaction. 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: | drug allergen Any drug which causes the onset of an allergic reaction. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanic acid (CHEBI:15838) is a cephalosporin (CHEBI:23066) |
| (7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanic acid (CHEBI:15838) is conjugate acid of (7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanate(2−) (CHEBI:57536) |
| Incoming Relation(s) |
| (7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanate(2−) (CHEBI:57536) is conjugate base of (7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanic acid (CHEBI:15838) |
| IUPAC Name |
|---|
| (6R,7R)-3-(acetoxymethyl)-7-[(5-carboxy-5-oxopentanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Synonyms | Source |
|---|---|
| 7-(5-Carboxyl-5-oxopentanyl)-aminocephalosporinate | KEGG COMPOUND |
| (7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate | KEGG COMPOUND |
| (7R)-7-(5-carboxy-5-oxopentanoyl)aminocephalosporinic acid | ChEBI |