EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:52037 - flucloxacillin(1−)

ChEBI IDCHEBI:52037
ChEBI Nameflucloxacillin(1−)
Stars
ASCII Nameflucloxacillin(1-)
Last Modified12 March 2009
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC19H16ClFN3O5S
Net Charge-1
Average Mass452.871
Monoisotopic Mass452.04887
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)c1c(-c2c(F)cccc2Cl)noc1C
InChIInChI=1S/C19H17ClFN3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/p-1/t13-,14+,17-/m1/s1
InChIKeyUIOFUWFRIANQPC-JKIFEVAISA-M
Roles Classification
Biological Role:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
flucloxacillin(1−) (CHEBI:52037) is a penicillinate anion (CHEBI:51356)
flucloxacillin(1−) (CHEBI:52037) is conjugate base of flucloxacillin (CHEBI:5098)
Incoming Relation(s)
flucloxacillin sodium (CHEBI:31615) has part flucloxacillin(1−) (CHEBI:52037)
flucloxacillin (CHEBI:5098) is conjugate acid of flucloxacillin(1−) (CHEBI:52037)
IUPAC Name 
6β-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamido]-2,2-dimethylpenam-3α-carboxylate
Synonym  Source
(2S,5R,6R)-6-({[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylateIUPAC
Registry NumbersSources
Beilstein:5397371Beilstein