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CHEBI:52017 - dicloxacillin(1−)

ChEBI IDCHEBI:52017
ChEBI Namedicloxacillin(1−)
Stars
ASCII Namedicloxacillin(1-)
Last Modified2 March 2009
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC19H16Cl2N3O5S
Net Charge-1
Average Mass469.326
Monoisotopic Mass468.01932
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C
InChIInChI=1S/C19H17Cl2N3O5S/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
InChIKeyYFAGHNZHGGCZAX-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)
dicloxacillin(1−) (CHEBI:52017) is a penicillinate anion (CHEBI:51356)
dicloxacillin(1−) (CHEBI:52017) is conjugate base of dicloxacillin (CHEBI:4511)
Incoming Relation(s)
dicloxacillin sodium (CHEBI:34691) has part dicloxacillin(1−) (CHEBI:52017)
dicloxacillin (CHEBI:4511) is conjugate acid of dicloxacillin(1−) (CHEBI:52017)
IUPAC Name 
6β-{[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carboxamido}-2,2-dimethylpenam-3α-carboxylate
Synonym  Source
(2S,5R,6R)-6-({[3-(2,6-dichlorophenyl)-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:4773354Beilstein