CHEBI:31383 - Ceftiofur sodium

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Ceftiofur sodium
ChEBI ID CHEBI:31383
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C19H16N5O7S3.Na
Net Charge 0
Average Mass 545.548
Monoisotopic Mass 545.01096
InChI InChI=1S/C19H17N5O7S3.Na/c1-30-23-11(9-7-34-19(20)21-9)14(25)22-12-15(26)24-13(17(27)28)8(5-32-16(12)24)6-33-18(29)10-3-2-4-31-10;/h2-4,7,12,16H,5-6H2,1H3,(H2,20,21)(H,22,25)(H,27,28);/q;+1/p-1/b23-11-;/t12-,16-;/m1./s1
InChIKey RFLHUYUQCKHUKS-JUODUXDSSA-M
SMILES [Na+].CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(CSC(=O)c3ccco3)=C(N2C1=O)C([O-])=O)c1csc(N)n1
ChEBI Ontology
Outgoing Ceftiofur sodium (CHEBI:31383) is a organic molecular entity (CHEBI:50860)
Synonym Source
Ceftiofur sodium KEGG COMPOUND
Manual Xrefs Databases
C13143 KEGG COMPOUND
D01682 KEGG DRUG
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Registry Number Type Source
104010-37-9 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014