CHEBI:52037 - flucloxacillin(1−)

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ChEBI Name flucloxacillin(1−)
ChEBI ID CHEBI:52037
ChEBI ASCII Name flucloxacillin(1-)
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C19H16ClFN3O5S
Net Charge -1
Average Mass 452.86400
Monoisotopic Mass 452.04887
InChI InChI=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
InChIKey UIOFUWFRIANQPC-JKIFEVAISA-M
SMILES [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(C)onc1-c1c(F)cccc1Cl)C([O-])=O
Roles Classification
Biological Role(s): antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via heterocyclic antibiotic )
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ChEBI Ontology
Outgoing flucloxacillin(1−) (CHEBI:52037) is a penicillinate anion (CHEBI:51356)
flucloxacillin(1−) (CHEBI:52037) is conjugate base of flucloxacillin (CHEBI:5098)
Incoming 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-carboxylate IUPAC
Registry Number Type Source
5397371 Beilstein Registry Number Beilstein
Last Modified
12 March 2009