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CHEBI:139365 - flucloxacilloyl-L-lysine

ChEBI IDCHEBI:139365
ChEBI Nameflucloxacilloyl-L-lysine
Stars
ASCII Nameflucloxacilloyl-L-lysine
DefinitionAn L-lysine derivative obtained from nucleophilic cleavage of the β-lactam ring of flucloxacillin by the ε-amino group of the L-lysine molecule.
Last Modified19 January 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC25H31ClFN5O7S
Net Charge0
Average Mass600.069
Monoisotopic Mass599.16168
SMILES[H][C@@]1([C@H](NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)C(=O)NCCCC[C@H](N)C(=O)O)N[C@@H](C(=O)O)C(C)(C)S1
InChIInChI=1S/C25H31ClFN5O7S/c1-11-15(17(32-39-11)16-12(26)7-6-8-13(16)27)20(33)30-18(22-31-19(24(37)38)25(2,3)40-22)21(34)29-10-5-4-9-14(28)23(35)36/h6-8,14,18-19,22,31H,4-5,9-10,28H2,1-3H3,(H,29,34)(H,30,33)(H,35,36)(H,37,38)/t14-,18+,19-,22+/m0/s1
InChIKeyNOARVYOPBAIMKR-GJLBYMJHSA-N
ChEBI Ontology
Outgoing Relation(s)
flucloxacilloyl-L-lysine (CHEBI:139365) has functional parent flucloxacillin (CHEBI:5098)
flucloxacilloyl-L-lysine (CHEBI:139365) has part flucloxacilloyl group (CHEBI:59152)
flucloxacilloyl-L-lysine (CHEBI:139365) is a L-lysine derivative (CHEBI:25095)
Incoming Relation(s)
flucloxacilloyl-L-lysine residue (CHEBI:139488) is substituent group from flucloxacilloyl-L-lysine (CHEBI:139365)
IUPAC Name 
N6-[(2R)-2-[(2R,4S)-4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl]-2-{[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino}acetyl]-L-lysine
Synonyms  Source
Nε-flucloxacilloyl-L-lysineChEBI
flucloxacillin-lysineChEBI
N6-flucloxacilloyl-L-lysineChEBI
Citations