CHEBI:139365 - flucloxacilloyl-L-lysine

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ChEBI Name flucloxacilloyl-L-lysine ChEBI ID CHEBI:139365 ChEBI ASCII Name flucloxacilloyl-L-lysine Definition An L-lysine derivative obtained from nucleophilic cleavage of the β-lactam ring of flucloxacillin by the ε-amino group of the L-lysine molecule. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C25H31ClFN5O7S Net Charge 0 Average Mass 600.061 Monoisotopic Mass 599.16168 InChI InChI=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 InChIKey NOARVYOPBAIMKR-GJLBYMJHSA-N SMILES N(C(=O)C=1C(=NOC1C)C2=C(C=CC=C2F)Cl)[C@@H]([C@@]3(N[C@H](C(S3)(C)C)C(O)=O)[H])C(=O)NCCCC[C@@H](C(=O)O)N ChEBI Ontology Outgoing 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 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 Sources flucloxacillin-lysine ChEBI N6-flucloxacilloyl-L-lysine ChEBI Nε-flucloxacilloyl-L-lysine ChEBI Citation Type Source 29148816 PubMed citation Europe PMC Last Modified 19 January 2018