EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H13N8O4S3.5H2O.Na |
| Net Charge | 0 |
| Average Mass | 566.576 |
| Monoisotopic Mass | 566.06478 |
| SMILES | O.O.O.O.O.[H][C@]12SCC(CSc3nnc(C)s3)=C(C(=O)[O-])N1C(=O)[C@H]2NC(=O)Cn1cnnn1.[Na+] |
| InChI | InChI=1S/C14H14N8O4S3.Na.5H2O/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21;;;;;;/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26);;5*1H2/q;+1;;;;;/p-1/t9-,12-;;;;;;/m1....../s1 |
| InChIKey | KHQJKXHCWOHDQD-HGUWTHONSA-M |
| 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) |
| Cefazolin sodium hydrate (CHEBI:34615) is a cephalosporin (CHEBI:23066) |
| Synonym | Source |
|---|---|
| Cefazolin sodium hydrate | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| D02226 | KEGG DRUG |
| Registry Numbers | Sources |
|---|---|
| CAS:115850-11-8 | KEGG COMPOUND |