RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0136422
RefMet nameFlucloxacillin
Systematic name(2S,5R,6R)-6-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-amido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SynonymsPubChem Synonyms
Exact mass453.056150 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC19H17ClFN3O5SView other entries in RefMet with this formula
Molecular descriptors
Molfile42690 (Download molfile/View MW Metabolite Database details)
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/h4-6,13-14,17
H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1
InChIKeyUIOFUWFRIANQPC-JKIFEVAISA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCc1c(c(c2c(cccc2F)Cl)no1)C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassOrganoheterocyclic compounds
Main ClassBeta lactams
Sub ClassPenicillins
Distribution of Flucloxacillin in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting Flucloxacillin
External Links
Pubchem CID21319
ChEBI ID5098
KEGG IDC11748
HMDB IDHMDB0014446
Chemspider ID20037
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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