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CHEBI:51350 - cloxacillin(1−)

ChEBI IDCHEBI:51350
ChEBI Namecloxacillin(1−)
Stars
ASCII Namecloxacillin(1-)
Last Modified28 March 2011
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC19H17ClN3O5S
Net Charge-1
Average Mass434.881
Monoisotopic Mass434.05829
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)c1c(-c2ccccc2Cl)noc1C
InChIInChI=1S/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)/p-1/t13-,14+,17-/m1/s1
InChIKeyLQOLIRLGBULYKD-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)
cloxacillin(1−) (CHEBI:51350) is a penicillinate anion (CHEBI:51356)
cloxacillin(1−) (CHEBI:51350) is conjugate base of cloxacillin (CHEBI:49566)
Incoming Relation(s)
cloxacillin benzathine (CHEBI:51351) has part cloxacillin(1−) (CHEBI:51350)
cloxacillin sodium (CHEBI:51357) has part cloxacillin(1−) (CHEBI:51350)
cloxacillin (CHEBI:49566) is conjugate acid of cloxacillin(1−) (CHEBI:51350)
IUPAC Name 
2,2-dimethyl-6β-({[5-methyl-3-(2-chlorophenyl)isoxazol-4-yl]carbonyl}amino)penam-3α-carboxylate
Registry NumbersSources
Beilstein:5406065Beilstein