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CHEBI:18065 - deacetylcephalosporin C
| Formula | C14H19N3O7S |
| Net Charge | 0 |
| Average Mass | 373.387 |
| Monoisotopic Mass | 373.09437 |
| SMILES | [H][C@]12SCC(CO)=C(C(=O)O)N1C(=O)[C@H]2NC(=O)CCC[C@@H](N)C(=O)O |
| InChI | InChI=1S/C14H19N3O7S/c15-7(13(21)22)2-1-3-8(19)16-9-11(20)17-10(14(23)24)6(4-18)5-25-12(9)17/h7,9,12,18H,1-5,15H2,(H,16,19)(H,21,22)(H,23,24)/t7-,9-,12-/m1/s1 |
| InChIKey | XWCFYHBHOFBVIV-JWKOBGCHSA-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) |
| deacetylcephalosporin C (CHEBI:18065) is a 3-hydroxymethylcephalosporin (CHEBI:47879) |
| deacetylcephalosporin C (CHEBI:18065) is conjugate acid of deacetylcephalosporin C(1−) (CHEBI:58366) |
| Incoming Relation(s) |
| deacetylcephalosporin C(1−) (CHEBI:58366) is conjugate base of deacetylcephalosporin C (CHEBI:18065) |
| IUPAC Name |
|---|
| (6R,7R)-7-{[(5R)-5-amino-5-carboxypentanoyl]amino}-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Synonym | Source |
|---|---|
| Deacetylcephalosporin C | KEGG COMPOUND |