EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:31383 - Ceftiofur sodium

Default Structure
ChEBI IDCHEBI:31383
ChEBI NameCeftiofur sodium
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC19H16N5O7S3.Na
Net Charge0
Average Mass545.556
Monoisotopic Mass545.01096
SMILES[H][C@]12SCC(CSC(=O)c3ccco3)=C(C(=O)[O-])N1C(=O)[C@H]2NC(=O)/C(=N\OC)c1csc(N)n1.[Na+]
InChIInChI=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
InChIKeyRFLHUYUQCKHUKS-JUODUXDSSA-M
ChEBI Ontology
Outgoing Relation(s)
Ceftiofur sodium (CHEBI:31383) is a organic molecular entity (CHEBI:50860)
Synonym  Source
Ceftiofur sodiumKEGG COMPOUND
Manual XrefsDatabases
C13143KEGG COMPOUND
D01682KEGG DRUG
Registry NumbersSources
CAS:104010-37-9KEGG COMPOUND